939-54-8

Basic information

• Product Name: 2-Bromoethyl benzoate
• Synonyms: 2-BROMOETHYL BENZOATE;BENZOIC ACID 2-BROMOETHYL ESTER;BENZOIC ACID 2-BOMOETHYL ESTER;2-Bromoethyl benzoate 98%
• CAS NO: 939-54-8
• Molecular Formula: C₉H₉BrO₂
• Molecular Weight: 229.07
• Product Categories: C8 to C9;Carbonyl Compounds;Esters
• Mol File: 939-54-8.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 157-159 °C20 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.445 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000119mmHg at 25°C
• Refractive Index: n20/D 1.548(lit.)
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 2-Bromoethyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromoethyl benzoate(939-54-8)
• EPA Substance Registry System: 2-Bromoethyl benzoate(939-54-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 939-54-8(Hazardous Substances Data)

Usage

Uses

2-Bromoethyl benzoate may be used in chemical synthesis.

Synthesis Reference(s)

The Journal of Organic Chemistry, 44, p. 3082, 1979 DOI: 10.1021/jo01331a027

General Description

2-Bromoethyl benzoate is an ester.

InChI:InChI=1/C9H9BrO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5-6H2,(H,11,12)/p-1

Upstream product

• 56-23-5 tetrachloromethane 
• 128-08-5 N-Bromosuccinimide 
• 936-51-6 2-phenyl-1,3-dioxolane 
• 98-88-4 benzoyl chloride 
• 540-51-2 2-bromoethanol 
• 7726-95-6 bromine 
• 94-33-7 C₉H₁₀O₃ 
• 100-52-7 benzaldehyde 
• 107-21-1 ethylene glycol 
• 100-51-6 benzyl alcohol 
• 109-86-4 2-methoxy-ethanol 
• 65-85-0 benzoic acid 
• 107-07-3 2-chloro-ethanol 
• 120-46-7 1,3-diphenylpropanedione 

Downstream Products

• 21010-49-1 N-(2-phenoxyethyl)aniline 
• 24943-60-0 (2-benzoyloxy-ethyl)-trimethyl-ammonium; bromide 
• 144867-10-7 (N-cyano-2-acetamidoethyl) benzoate 
• 106412-04-8 2-benzoyloxyethylmalononitrile 
• 103-82-2 phenylacetic acid 
• 65-85-0 benzoic acid 
• 101094-07-9 2-(phenylsulfonyl)ethyl benzoate 
• 623176-92-1 benzoic acid 2-[3-{3-[4-(1-methoxycarbonyl-1-methylethoxy)phenyl]propyl}-1-(4-methylbenzyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl]ethyl ester 
• 272437-18-0 2-(acetylthio)ethyl benzoate 
• 1008752-36-0 3',5'-O-bis-tetrahydropyranyl-N₃-(2-benzoyl-ethyl)thymidine 
• 632-51-9 1,1,2,2-tetraphenylethylene 
• 142958-88-1 2-(4-Methyl-1H-indol-1-yl)benzoic acid, ethyl ester 
• 475599-41-8 2-azidoethyl benzoate 

Relevant articles and documents

Preparation methods of aprepitant impurity

The invention discloses preparation methods of an aprepitant impurity, which comprise isomer impurity synthesis method of six aprepitant key intermediates (2R, 3S)-2-[(1R)-1-[3, 5-bis (trifluoromethyl)-phenyl] ethoxy]-3-(4-fluorophenyl) morpholine, respectively, synthesis of four diastereomer impurities, synthesis of one enantiomer impurity and synthesis of one by-product impurity. The methods have the beneficial effects that the five synthesis methods are simple and feasible, the raw materials are easy to obtain, the conditions are mild, the cost is low, the production is facilitated, and meanwhile, the isomer impurities of the synthesized aprepitant key intermediate provide a new intermediate raw material for the preparation of aprepitant.

A study on reactions of an alkynylsilane with oxone-KX (X = Cl, Br, I) and its one-pot transformation into an amide/ester

Oxyhalogenation reactions of a variety of alkynylsilanes were studied using oxone as mild oxidant and KCl, KBr, and KI as halogen sources. In this study, reaction of an alkynylsilane with oxone-KX (X = Cl or Br) produced trichloromethyl/tribromomethyl ketones inhigh yields. Under similar conditions, however, reactions of alkynylsilanes with oxone-KI were found to give exclusively 1,2,2-triiodovinyl derivatives in high yields. In this study, new methods were deveoped for effcient one-pot tranformation of alkynylsilanes into amides and esters by reaction with amines and alcohols respectively via trihalomethyl ketone.

Copper-catalyzed Csp3-O cross-coupling of unactivated alkyl halides with organic peroxides

An efficient Cu-catalyzed Csp3-O coupling of peroxides with haloalkanes is described. High yields of products were achieved under mild conditions. Significantly, in addition to primary alkyl halides, secondary alkyl halogenated hydrocarbons could also be applied to this system. The new reaction system could tolerate a wide range of organic peroxides.