Ethyl 4-(2-bromoacetyl)benzoate

Base Information

• Chemical Name: Ethyl 4-(2-bromoacetyl)benzoate
• CAS No.: 81590-55-8
• Molecular Formula: C11H11BrO3
• Molecular Weight: 271.111
• Hs Code.: 2918300090
• European Community (EC) Number: 856-223-6
• DSSTox Substance ID: DTXSID30474891
• Wikidata: Q82305054
• Mol file: 81590-55-8.mol

Synonyms:Ethyl 4-(2-bromoacetyl)benzoate;81590-55-8;4-(2-bromo-acetyl)-benzoic acid ethyl ester;Ethyl 4-(2'-Bromoacetyl)benzoate;4-(2-Bromoacetyl)benzoic Acid Ethyl Ester;Benzoic acid, 4-(bromoacetyl)-, ethyl ester;ethyl 4-bromoacetylbenzoate;ethyl 4-(bromoacetyl)benzoate;SCHEMBL393383;Ethyl4-(2-bromoacetyl)benzoate;DTXSID30474891;XMIVTAOFQJBIGO-UHFFFAOYSA-N;ethyl 4-(2-bromoacetyl)-benzoate;MFCD18382322;4'-ethoxycarbonyl-2-bromoacetophenone;SB38859;AS-47413;CS-0341423;FT-0668174;EN300-160603;F13628;Ethyl 4-(2 inverted exclamation mark -Bromoacetyl)benzoate

Chemical Property of Ethyl 4-(2-bromoacetyl)benzoate

Chemical Property:

• PSA: 43.37000
• LogP: 2.44090
• Solubility.: Chloroform, Dichloromethane, Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 269.98916
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-(2’-Bromoacetyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)CBr
• Uses: Ethyl 4-(2’-Bromoacetyl)benzoate is an intermediate used in the preparation of various enzymatic inhibitors.

Technology Process of Ethyl 4-(2-bromoacetyl)benzoate

There total 4 articles about Ethyl 4-(2-bromoacetyl)benzoate 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: 100.0%

→ ethyl 4-(2-bromoacetyl)benzoate (81590-55-8)

Guidance literature:

Reference yield: 95.0%

ethyl-4-acetylbenzoate (38430-55-6) → ethyl 4-(2-bromoacetyl)benzoate (81590-55-8)

Guidance literature:

With hydrogen bromide; acetic acid; pyridinium hydrobromide perbromide;

DOI:10.1016/j.bmcl.2008.03.093

Reference yield:

ethyl-4-acetylbenzoate (38430-55-6) + copper(II)bromide (7789-45-9) → ethyl 4-(2-bromoacetyl)benzoate (81590-55-8)

Guidance literature:

In chloroform; ethyl acetate;

upstream raw materials:

ethyl-4-acetylbenzoate

copper(II)bromide

4-acetyl-benzoic acid

Downstream raw materials:

(4-[2-({2-[(1-carboxyheptyl)sulfanyl]-6-chloropyrimidin-4-yl}amino)-1,3-thiazol-4-yl]benzoic acid)

ethyl-4-oxazol-4-ylbenzoate

(R)-1-(2-(4-(ethoxycarbonyl)phenyl)-2-oxoethyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane bromide