2-(2-Acetyl-4-bromophenoxy)acetic acid

Base Information

• Chemical Name: 2-(2-Acetyl-4-bromophenoxy)acetic acid
• CAS No.: 34849-51-9
• Molecular Formula: C10H9BrO4
• Molecular Weight: 273.083
• European Community (EC) Number: 962-240-0
• ChEMBL ID: CHEMBL384130
• Nikkaji Number: J2.944.453F
• Mol file: 34849-51-9.mol

Synonyms:2-(2-acetyl-4-bromophenoxy)acetic acid;34849-51-9;CHEMBL384130;MFCD27949767;(2-Acetyl-4-bromophenoxy)acetic acid;SCHEMBL789387;ZPKLKLLENLTZEX-UHFFFAOYSA-N;BDBM50200252;AKOS005215962;2-(2-acetyl-4-bromophenoxy)aceticacid;AS-30410;PD179709;SY028375;[(2-acetyl-4-bromophenyl)oxy]acetic Acid;Acetic acid, (2-acetyl-4-bromophenoxy)-;DB-250537;CS-0451459;EN300-202073;A919344;Z359570156

Chemical Property of 2-(2-Acetyl-4-bromophenoxy)acetic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.96842
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)Br)OCC(=O)O

Technology Process of 2-(2-Acetyl-4-bromophenoxy)acetic acid

There total 6 articles about 2-(2-Acetyl-4-bromophenoxy)acetic acid 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: 78.0%

(2-acetyl-4-bromophenoxy)acetic acid ethyl ester (34849-50-8) → (2-acetyl-4-bromophenoxy)acetic acid (34849-51-9)

Guidance literature:

(2-acetyl-4-bromophenoxy)acetic acid ethyl ester; With water; sodium hydroxide; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In water; pH=2;

Reference yield:

5-Bromo-2-hydroxyacetophenone (1450-75-5) + chloroacetic acid (79-11-8) → (2-acetyl-4-bromophenoxy)acetic acid (34849-51-9)

Guidance literature:

With sodium hydroxide; In water; Inert atmosphere; Reflux;

Reference yield:

salicylaldehyde (90-02-8) → (2-acetyl-4-bromophenoxy)acetic acid (34849-51-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 79.3 percent / Br₂ / CS₂ / 50 °C

2: 1.) NaH / 1.) DMF, 2.) DMF, RT, 4 h

3: 73 percent / 1N aq. NaOH / tetrahydrofuran / 3.5 h / Ambient temperature

With sodium hydroxide; bromine; sodium hydride; In tetrahydrofuran; carbon disulfide;

DOI:10.1016/S0968-0896(96)00244-1

upstream raw materials:

(2-acetyl-4-bromophenoxy)acetic acid ethyl ester

salicylaldehyde

5-bromosalicyclaldehyde

5-Bromo-2-hydroxyacetophenone

Downstream raw materials:

3-methyl-5-(4 ,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzofuran

5-[2-(2-Bromo-3-bromomethyl-benzofuran-5-yl)-phenyl]-1-trityl-1H-tetrazole

5-[2-(3-Bromomethyl-benzofuran-5-yl)-phenyl]-1-trityl-1H-tetrazole

5-[2-(3-Methyl-benzofuran-5-yl)-phenyl]-1-trityl-1H-tetrazole