2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]acetic acid

Base Information

Chemical Name:2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]acetic acid
CAS No.:153783-87-0
Molecular Formula:C₁₀H₉BrO₃S
Molecular Weight:289.15
Hs Code.:
DSSTox Substance ID:DTXSID201235228

Synonyms:DTXSID201235228;AKOS015971229;2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]acetic acid;[2-(4-Bromo-phenyl)-2-oxo-ethylsulfanyl]-acetic acid;2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}acetic acid;153783-87-0

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]acetic acid

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:287.94558
Heavy Atom Count:15
Complexity:237

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)CSCC(=O)O)Br

Technology Process of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]acetic acid

There total 2 articles about 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]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: 88.0%

: 68-11-1
mercaptoacetic acid

: 99-73-0,132309-76-3
para-bromophenacyl bromide

: 153783-87-0
2-((2-(4-bromophenyl)-2-oxoethyl)thio)acetic acid

Guidance literature:: With sodium hydroxide; In methanol; at 10 - 15 ℃; for 4h;

Reference yield:

: 99-90-1
para-bromoacetophenone

: 153783-87-0
2-((2-(4-bromophenyl)-2-oxoethyl)thio)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: N-Bromosuccinimide; toluene-4-sulfonic acid / acetonitrile / 24 h / 50 °C / Inert atmosphere

2: sodium hydroxide / water; methanol / 4 h / 0 - 25 °C / Inert atmosphere

With N-Bromosuccinimide; toluene-4-sulfonic acid; sodium hydroxide; In methanol; water; acetonitrile;
DOI:10.1021/acs.orglett.1c00911

Reference yield: 91.0%

: 64-17-5
ethanol

: 153783-87-0
2-((2-(4-bromophenyl)-2-oxoethyl)thio)acetic acid

: 153783-97-2
ethyl 2-((2-(4-bromophenyl)-2-oxoethyl)thio)acetate

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 25 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.orglett.1c00911