2-(4-bromophenyl)-2-hydroxyPropanoic acid

Base Information

• Chemical Name: 2-(4-bromophenyl)-2-hydroxyPropanoic acid
• CAS No.: 58244-32-9
• Molecular Formula: C9H9BrO3
• Molecular Weight: 245.073
• DSSTox Substance ID: DTXSID60503067
• Mol file: 58244-32-9.mol

Synonyms:2-(4-bromophenyl)-2-hydroxyPropanoic acid;58244-32-9;1161833-85-7;(S)-2-(4-Bromophenyl)-2-hydroxypropanoic Acid;1161833-84-6;(R)-2-(4-Bromophenyl)-2-hydroxypropanoic Acid;SCHEMBL1119742;DTXSID60503067;MFCD05663600;MFCD05663601;AKOS005362955;SY297003;SY297004;A903579

Chemical Property of 2-(4-bromophenyl)-2-hydroxyPropanoic acid

Chemical Property:

• PSA: 57.53000
• LogP: 1.74120
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

2-(4-BROMOPHENYL)-2-HYDROXYPROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-bromophenyl)-2-hydroxyPropanoic acid

There total 5 articles about 2-(4-bromophenyl)-2-hydroxyPropanoic 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: 83.0%

carbon dioxide (124-38-9,18923-20-1) + para-bromoacetophenone (99-90-1) → 2-(4-bromophenyl)-2-hydroxypropanoic acid (58244-32-9)

Guidance literature:

With Tetrapropylammonium chloride; In acetonitrile; at 20 ℃; for 10h; under 760.051 Torr; Electrochemical reaction;

DOI:10.14233/ajchem.2021.23090

Reference yield:

2-(4-bromophenyl)-2-((trimethylsilyl)oxy)propanenitrile (220586-16-3) → 2-(4-bromophenyl)-2-hydroxypropanoic acid (58244-32-9)

Guidance literature:

With hydrogenchloride; acetic acid; In water; at 20 - 100 ℃; for 2h;

Reference yield:

2-(p-bromophenyl)-1,2-propanediol → 2-(4-bromophenyl)-2-hydroxypropanoic acid (58244-32-9)

Guidance literature:

With platinum on activated charcoal; water; oxygen; sodium hydrogencarbonate; at 70 ℃;

DOI:10.1021/ja104196x

upstream raw materials:

para-bromoacetophenone

2-(4-bromophenyl)-2-((trimethylsilyl)oxy)propanenitrile

carbon dioxide

Downstream raw materials:

methyl 2-(4-bromophenyl)-2-hydroxypropanoate

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