Buy 2-BROMO-1-PHENYL-PENTAN-1-ONE (Cas 49851-31-2)

Buy 2-BROMO-1-PHENYL-PENTAN-1-ONE (Cas 49851-31-2)

CAS 49851-31-2 2-Bromo-1-Phenyl-Pentan-1-One | Products & Prices & Suppliers

• 2-Bromo-1-phenyl-pentan-1-one is a chemical compound with the molecular formula C11H13BrO. Structurally, it consists of a pentanone backbone with a bromine atom attached to the second carbon and a phenyl group attached to the first carbon. This compound falls within the class of ketones, and its structure suggests it may have applications in organic synthesis. In terms of physical properties, 2-Bromo-1-phenyl-pentan-1-one is likely to be a solid at room temperature, and its solubility characteristics would depend on the specific form and functional groups present in the molecule.

• Product Name: 2-Bromo-1-Phenyl-Pentan-1-One
• Molecular Weight: 241.12432
• Molecular Formula: C₁₁H₁₃BrO
• Synonyms: 2-BROMO-1-PHENYL-1-PENTANONE; 2-Bromo-1-Phenyl-1-Pentanone CAS 49851-31-2 kf-wang(at)kf-chem.com; 2-Bromo-1-phenyl-1-pentanone, 2-Bromovalerophenone; 2-BroMovalerophenone; 2-Bromovalerophenone alpha Bromovalerophenone; 49851 31 2 TELEGRAM JESSIEAOKSBIO;

2-Bromo-1-phenyl-pentan-1-one

2-Bromo-1-phenyl-pentan-1-one structure

CAS No.

49851-31-2

Chemical Name:

2-Bromo-1-phenyl-pentan-1-one

Synonyms

2-BroMovalerophenone;2-BROMO-1-PHENYL-1-PENTANONE;α-Bromovalerophenone;2-Bro;cas49851 31 2;a-Bromovalerophenone;2-BROMO-1-PHENYL-PENTA;alpha-bromovaleropheone;Alfa-Bromovalerophenone;New 2-Bromovalerophenone

CBNumber:

CB0837318

Molecular Formula:

C11H13BrO

Molecular Weight:

241.12

MDL Number:

MFCD09031798

MOL File:

49851-31-2.mol

MSDS File:

SDS

TDS File:

TDS

Last updated:2026-08-26 13:41:44

Product description	Number	Pack Size	Price
alpha-Bromovalerophenone	TRC-B689020-1G	1g	$1505
alpha-Bromovalerophenone	TRC-B689020-100MG	100mg	$202
α-Bromovalerophenone	005036	100mg	$531
2-Bromo-1-phenylpentan-1-one 95+%	CD12068019	1g	$1112
α-Bromovalerophenone	B689020	100mg	$140
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What is 2-BROMO-1-PHENYL-PENTAN-1-ONE, Cas 49851-31-2? And how does it work?

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2-Bromo-1-phenyl-1-pentan-1-one is an organic compound with the chemical formula C11H13BrO.

The following is a description of its properties, uses, synthesis and safety information:

Properties:

1. Appearance: 2-Bromo-1-Phenyl-1-Pentanone is a colorless solid.
2. Melting Point: It has a melting point between 34-36°C.
3. Solubility: It is soluble in common organic solvents.
4. Odor: It possesses a distinctive odor.
5. Hazardous Nature: 2-Bromo-1-Phenyl-1-Pentanone is a flammable compound; precautions should be taken to keep it away from open flames during storage and handling.

Uses:

1. Organic Synthesis: It serves as an intermediate in chemical synthesis for the preparation of other organic compounds.
2. Pharmaceuticals: 2-Bromo-1-Phenyl-1-Pentanone is applied in pharmaceutical research as an intermediate for antidepressant medications.

Synthesis: 2-Bromo-1-Phenyl-1-Pentanone is typically synthesized through the following steps:

1. Benzyl ketone and pentanoic acid react in the presence of sodium hydroxide to produce phenyl pentanone.
2. Phenyl pentanone reacts with bromine in a solvent, yielding 2-Bromo-1-Phenyl-1-Pentanone.

Safety Information:

1. Safety Precautions: Avoid skin contact, inhalation, or ingestion as 2-Bromo-1-Phenyl-1-Pentanone is a chemical substance.
2. Toxicity: It may be harmful to health, causing irritation to the eyes, respiratory, and digestive systems, with potential effects on the central nervous system.
3. Personal Protective Measures: When in use, wear protective eyewear, gloves, and appropriate clothing. Maintain good ventilation during the operation.
4. Storage: Store 2-Bromo-1-Phenyl-1-Pentanone in a dry, cool place, away from open flames and oxidizing agents.

Other names:

2-BroMovalerophenone
Α-BROMOVALEROPHENONE
alpha-bromovaleropheone
2-BROMO-1-PHENYL-1-PENTANONE
2-Bromo-1-Phenyl-Pentan-1-One
2-BROMO-1-PHENYL-PENTAN-1-ONE
49851 31 2 TELEGRAM JESSIEAOKSBIO
China 2-bromo-1-phenylpentan-1-one
Α-BROMOVALEROPHENONE WICKR JANE8886
2-Bromovalerophenone alpha Bromovalerophenone
2-Bromo-1-phenyl-1-pentanone
2-Bromovalerophenone

2-Bromo-1-phenyl-pentan-1-one

PhotochemistryRadical chemistrySynthetic photoredox methodology

2-Bromo-1-phenyl-pentan-1-one (α-bromovalerophenone, CAS 49851-31-2) is an α-haloketone of the valerophenone class, bearing a bromine atom at the alpha carbon adjacent to the carbonyl group on a pentanophenone backbone. Its molecular formula is C11H13BrO with a molecular weight of 241.12 g/mol.

⚠ Attention: For research use only. Not for human or veterinary use.

Molecular FormulaC11H13BrO

Molecular Weight241.12 g/mol

CAS No.49851-31-2

Cat. No.B138646

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Technical Parameters

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Basic Identity

Product Name	2-Bromo-1-phenyl-pentan-1-one
CAS	49851-31-2
Synonyms	2-Bromo-1-phenylpentan-1-one, 2-Bromovalerophenone
Molecular Formula	C11H13BrO
Molecular Weight	241.12 g/mol

Structural Identifiers

SMILES	CCCC(C(=O)C1=CC=CC=C1)Br
InChI	InChI=1S/C11H13BrO/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3
InChIKey	XOQFMNXQYSTQPE-UHFFFAOYSA-N

Commercial & Availability

Standard Pack Sizes	10 mg / 50 mg / 100 mg / Bulk Custom
Availability	In Stock
Custom Synthesis	Available on request

2-Bromo-1-phenyl-pentan-1-one (CAS 49851-31-2) – Compound Identity, Class, and Procurement-Relevant Profile for Chemical Sourcing Decisions

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2-Bromo-1-phenyl-pentan-1-one (α-bromovalerophenone, CAS 49851-31-2) is an α-haloketone of the valerophenone class, bearing a bromine atom at the alpha carbon adjacent to the carbonyl group on a pentanophenone backbone. Its molecular formula is C11H13BrO with a molecular weight of 241.12 g/mol [1]. The compound is characterized by a boiling point of 94–96 °C (at 0.25 Torr), a predicted density of 1.310±0.06 g/cm³, and limited solubility in chloroform and methanol . It serves as a critical electrophilic building block in organic synthesis, particularly as a pharmaceutical intermediate and as a key precursor in the synthesis of psychoactive substances such as α-PVP and pentedrone [2].

RoleElectrophilic building block

WorkflowPharmaceutical intermediate synthesis

HandlingLow-melting or liquid; cold storage required

View 2 References︾

Why 2-Bromo-1-phenyl-pentan-1-one Cannot Be Readily Substituted with α-Chloro or Ring-Brominated Valerophenone Analogs in Research Synthesis

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Although α-halovalerophenones share a common phenylpentanone backbone, substitution of the alpha-bromine with chlorine or relocation of bromine to the aromatic ring produces profound alterations in photochemical reactivity, electrophilic leaving-group kinetics, and physical handling properties. α-Chlorovalerophenone follows an entirely different photochemical pathway (Norrish/Yang cyclization versus exclusive C–Br bond cleavage), while 4′-bromovalerophenone exhibits a melting point above room temperature (34–36 °C), fundamentally changing its handling and formulation behavior compared to the liquid or low-melting α-bromo isomer [1]. These differences render generic substitution unreliable without re-validation of reaction conditions, product profiles, and storage protocols, as demonstrated in the quantitative evidence below.

α-Chloro analogDivergent photochemical pathway may shift radical intermediates and product profiles.

4′-Bromo isomerCrystalline state and higher melting point may alter handling and formulation protocols.

C4 HomologDifferent backbone length may change target product identity and regulatory context.

View 1 Reference︾

Quantitative Comparator-Based Evidence for 2-Bromo-1-phenyl-pentan-1-one Differentiation Versus In-Class Analogs

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Divergent Photochemical Pathway: Exclusive C–Br Cleavage vs. Norrish/Yang Cyclization

Under photoirradiation, α-bromovalerophenone (2-bromo-1-phenyl-pentan-1-one) undergoes exclusive C–Br bond homolysis to yield radical cleavage products, whereas the direct chlorine analog α-chlorovalerophenone follows the classical Norrish/Yang reaction pathway predominantly, producing cyclization products via γ-hydrogen abstraction [1]. This represents a qualitative binary divergence in reaction outcome rather than a mere rate difference, making the two compounds non-interchangeable for any photochemically driven synthetic sequence.

Head-to-head

Target: Exclusive C–Br cleavage

Comparator: Norrish/Yang cyclization

Pathway divergence determines radical intermediate access.

Reaction outcome is not interchangeable for photoredox synthesis.

PhotochemistryRadical chemistrySynthetic photoredox methodology

︾

Green Synthesis Efficiency: 95% Yield and 98% Purity via Room-Temperature NaBr/HCl/H₂O₂ Method

A patented preparation method (CN108276264A) achieves 95% isolated yield and 98% purity (HPLC) for α-bromovalerophenone using sodium bromide, hydrochloric acid, and hydrogen peroxide at room temperature, avoiding elemental bromine, heavy metal bromides, or N-bromosuccinimide (NBS) [1]. Traditional bromination methods employing Br₂ or NBS typically require elevated temperatures (40–60 °C), pose greater environmental and safety burdens, and can produce over-brominated byproducts that reduce effective yield [2]. The NaBr/HCl/H₂O₂ system provides both a cost and purity advantage for procurement specifications.

Reported

Yield: 95% at room temp

Supports high-purity procurement specification.

Method avoids elemental bromine and chlorinated solvents.

Synthetic methodologyGreen chemistryProcess chemistryPharmaceutical intermediate production

︾

Physical State and Handling: Liquid/Low-Melting α-Bromo Isomer vs. Crystalline 4′-Bromo Positional Isomer

2-Bromo-1-phenyl-pentan-1-one (α-bromination) is a clear colorless to bright yellow oily liquid or low-melting solid (melting point ~28–30 °C) with a boiling point of 94–96 °C at 0.25 Torr . Its positional isomer 4′-bromovalerophenone (CAS 7295-44-5, bromine on the para position of the phenyl ring) is a yellow crystalline powder with a melting point of 34–36 °C and a significantly higher boiling point of 168–169 °C at 20 mmHg . The α-bromo isomer also requires refrigerated or frozen storage (−20 °C) under inert atmosphere to prevent degradation, whereas the 4′-bromo isomer can be stored at 0–10 °C . These differences in physical state, thermal stability, and storage requirements directly impact handling protocols, solvent compatibility, and formulation processes.

Head-to-head

α-isomer: mp ~28–30 °C, store −20 °C

4′-isomer: mp 34–36 °C, store 0–10 °C

Physical state dictates handling and cold-chain logistics.

Data to verify from supplier technical datasheets.

Physicochemical characterizationFormulation compatibilityReagent handling

︾

Leaving-Group Reactivity: Bromide vs. Chloride in Nucleophilic Displacement at the α-Carbon

In bimolecular nucleophilic substitution (SN2) reactions at the α-carbon of haloketones, bromide is a demonstrably superior leaving group compared to chloride. Kinetic studies on α-haloketone systems show apparent reactivity order Br > I > Cl, with bromide leaving approximately 10–50 times faster than chloride under comparable conditions [1]. This translates directly to shorter reaction times, lower required temperatures, and higher conversion rates when 2-bromo-1-phenyl-pentan-1-one is employed as the electrophilic partner in amine alkylations (e.g., synthesis of α-PVP and pentedrone from pyrrolidine or methylamine nucleophiles, respectively) [2]. The α-chloro analog requires more forcing conditions or longer reaction times to achieve comparable substitution yields.

Class-level

Br > Cl

Bromide may reduce reaction times in SN2 protocols.

Estimated 10–50× faster displacement; class-level inference.

Nucleophilic substitutionSN2 reactivitySynthetic intermediate efficiencyLeaving group kinetics

︾

Alpha-Chain Length Effect: C5 (Pentanone) vs. C4 (Butanone) Backbone in Precursor Reactivity

The pentanone backbone of 2-bromo-1-phenyl-pentan-1-one (C₁₁H₁₃BrO, MW 241.12) provides a distinct steric and electronic environment at the α-carbon compared to the butanone analog 2-bromo-1-phenylbutan-1-one (C₁₀H₁₁BrO, MW 227.10) [1]. The additional methylene group increases the molecular weight by 14.02 g/mol and alters both the boiling point (94–96 °C at 0.25 Torr for the C5 compound vs. 145–147 °C at 14 Torr for the C4 analog) and the density (1.310 vs. 1.372 g/cm³) . In the context of precursor regulation and forensic chemistry, the C5 (valerophenone-derived) compound is specifically identified as the direct precursor to α-PVP (1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one), while the C4 homolog yields the corresponding butanone-derived psychotropic substance [2]. The chain-length difference is critical for both synthetic target specificity and regulatory compliance in procurement.

Head-to-head

C5 (Target): MW 241.12, bp 94–96 °C

C4 (Homolog): MW 227.10, bp 145–147 °C

Chain length determines synthetic target identity.

Critical for precursor-specific procurement and regulatory context.

Structure-activity relationshipPrecursor controlHomolog comparisonSynthetic intermediate

︾

High-Confidence Application Scenarios for 2-Bromo-1-phenyl-pentan-1-one Based on Comparative Evidence

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Photoredox and Radical-Mediated Synthetic Methodology Development

The exclusive C–Br bond cleavage pathway of 2-bromo-1-phenyl-pentan-1-one under photoirradiation, directly contrasted with the Norrish/Yang cyclization of its α-chloro analog [1], makes this compound the required α-haloketone substrate for any photochemical protocol that depends on radical generation via carbon–halogen bond homolysis. Research groups developing visible-light photoredox catalyzed transformations, metal-free borylations, or [2+2] cycloadditions that rely on α-keto radical intermediates should specify this compound, as the chloro congener will not enter the same radical manifold.

Regulated Forensic Chemistry and Precursor Reference Standard Procurement

As explicitly documented in forensic chemistry literature, 2-bromo-1-phenyl-pentan-1-one is the direct precursor to the psychotropic substances α-PVP and pentedrone [2]. Forensic laboratories require this specific compound for analytical reference standard development, impurity profiling, and synthetic route tracking. The homolog 2-bromo-1-phenylbutan-1-one or the positional isomer 4′-bromovalerophenone cannot serve this purpose, as they lead to different controlled substance products.

Pharmaceutical Intermediate for KDM1A Inhibitor Synthesis

2-Bromo-1-phenyl-pentan-1-one has been specifically identified as a starting material for the synthesis of substituted imidazole derivatives that exhibit potent KDM1A (LSD1) enzyme inhibitory activity with selectivity over monoamine oxidase (MAO) . Medicinal chemistry programs targeting epigenetic regulation via histone demethylase inhibition can utilize this compound as a validated building block for constructing the imidazole core, with documented synthetic feasibility.

Large-Scale Synthesis Under Green Chemistry Protocols

Patent CN108276264A demonstrates a scalable, room-temperature synthesis of 2-bromo-1-phenyl-pentan-1-one using NaBr/HCl/H₂O₂ that achieves 95% yield and 98% purity without elemental bromine or chlorinated solvents [3]. Process chemistry groups seeking to implement environmentally sustainable halogenation at kilogram scale can adopt this method, which provides a verifiable benchmark for supplier qualification and batch consistency assessment.

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS05,GHS07
Signal word	Danger
Hazard statements	H315-H318-H335
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501

2-Bromo-1-phenyl-pentan-1-one synthesis

Synthesis of 2-Bromo-1-phenyl-pentan-1-one from Valerophenone

1. 2-Bromo-1-phenyl-pentan-1-one | 49851-31-2 – ChemicalBook

   Aug 26, 2026 · 2-Bromo-1-phenyl-pentan-1-one (CAS 49851-31-2) information, including chemical properties, structure, melting point, …

   • Boiling point: 94-96 °C (Press: 0.25 Torr)
   • solubility: Chloroform (Slightly), Methanol (Slightly)

   • Density: 1.310±0.06 g/cm3 (Predicted)
   • storage temp.: 20°C Freezer
2. 2-Bromo-1-phenyl-pentan-1-one | 49851-31-2 – MilliporeSigma

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3. 2-Bromo-1-phenyl-pentan-1-one | 49851-31-2 – MilliporeSigma

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   • Boiling Point: 282.3±13.0 °C at 760 mmHg
   • Name: α-Bromovalerophenone

   • Density: 1.3±0.1 g/cm3
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