Butyl bromoacetate

Base Information

• Chemical Name: Butyl bromoacetate
• CAS No.: 18991-98-5
• Molecular Formula: C6H11BrO2
• Molecular Weight: 195.056
• European Community (EC) Number: 242-729-9
• UNII: L25B41GO8K
• DSSTox Substance ID: DTXSID70172420
• Nikkaji Number: J102.134F
• Wikidata: Q72514093
• Mol file: 18991-98-5.mol

Synonyms:Butyl bromoacetate;butyl 2-bromoacetate;18991-98-5;Acetic acid, bromo-, butyl ester;Bromoacetic acid butyl ester;butyl2-bromoacetate;L25B41GO8K;EINECS 242-729-9;UNII-L25B41GO8K;bromo-acetic acid butyl ester;Bromoacetic acid, butyl ester;SCHEMBL362068;DTXSID70172420;AKOS016352946;ACETIC ACID, 2-BROMO-, BUTYL ESTER;CS-0336662;FT-0623302

Chemical Property of Butyl bromoacetate

Chemical Property:

• Vapor Pressure: 0.483mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 192.7 °C at 760 mmHg
• Flash Point: 78.4 °C
• PSA: 26.30000
• Density: 1.352g/cm³
• LogP: 1.72460
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.99424
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%Min ^*data from raw suppliers

ButylBromoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CBr

Technology Process of Butyl bromoacetate

There total 9 articles about Butyl bromoacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

→ n-butyl bromoacetate (18991-98-5)

Guidance literature:

Reference yield: 68.0%

2-Bromoacetyl bromide (598-21-0) + butan-1-ol (71-36-3) → n-butyl bromoacetate (18991-98-5)

Guidance literature:

With triethylamine; In dichloromethane; at -78 ℃; Inert atmosphere;

DOI:10.1039/b812809j

Reference yield: 60.0%

bromoacetic acid (79-08-3) + butan-1-ol (71-36-3) → n-butyl bromoacetate (18991-98-5)

Guidance literature:

With sulfuric acid; In toluene; Inert atmosphere; Dean-Stark;

DOI:10.1016/j.tet.2019.01.053

upstream raw materials:

bromoacetic acid

butan-1-ol

2-Bromoacetyl bromide

2-bromoacetyl chloride

Downstream raw materials:

n-butyl N-benzylglycinoate

1,3-dithiolane-2-thione

(E)-n-butyl 3-(perfluorophenyl)acrylate

n-butyl 3-p-chloro-tetrafluorophenyl acrylate

Refernces

• 1、 Kobayashi, Kenya,Niikura, Kenichi,Takeuchi, Chie,Sekiguchi, Shota,Ninomiya, Takafumi,Hagiwara, Kyoji,Mitomo, Hideyuki,Ito, Yoshihiro,Osada, Yoshihito,Ijiro, Kuniharu. "Enhanced cellular uptake of amphiphilic gold nanoparticles with ester functionality". . p. 1265 - 1267. Retrieved 2014.
• 2、 Li, Jingjing,Lian, Pengcheng,Wan, Xiaobing,Wang, Hanghang,Zheng, Yonggao. "Cross coupling of sulfonyl radicals with silver-based carbenes: A simple approach to β-carbonyl arylsulfones". supporting information. p. 2163 - 2169. Retrieved 2020/03/27.