3-(Benzoylsulfanyl)propanoic acid

Base Information

Chemical Name:3-(Benzoylsulfanyl)propanoic acid
CAS No.:60718-18-5
Molecular Formula:C₁₀H₁₀O₃S
Molecular Weight:210.254
Hs Code.:
DSSTox Substance ID:DTXSID50512865
Wikidata:Q82372291

Synonyms:3-(Benzoylsulfanyl)propanoic acid;60718-18-5;SCHEMBL8309337;DTXSID50512865

Suppliers and Price of 3-(Benzoylsulfanyl)propanoic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-(Benzoylsulfanyl)propanoic acid

Chemical Property:

PSA：79.67000
LogP:2.03470
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:210.03506535
Heavy Atom Count:14
Complexity:209

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)SCCC(=O)O

Technology Process of 3-(Benzoylsulfanyl)propanoic acid

There total 2 articles about 3-(Benzoylsulfanyl)propanoic 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: 59.0%

: 98-88-4
benzoyl chloride

: 107-96-0
3-mercaptopropionic acid

: 60718-18-5
3-benzoylthiopropanoic acid

Guidance literature:: With sodium carbonate; In water; 0 deg C, 15 min; RT, 1 h;
DOI:10.1016/0040-4020(94)00907-C

Reference yield:

: 98-91-9
thiobenzoic acid

: 79-10-7
acrylic acid

: 60718-18-5
3-benzoylthiopropanoic acid

Guidance literature:: DOI:10.1002/hlca.19570400714

Reference yield:

: 60718-18-5
3-benzoylthiopropanoic acid

: 162968-34-5
1,3-bis<<<6-(3-(benzoylmercapto)propionylamino)pyrid-2-yl>amino>carbonyl>-5-(heptyloxy)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: (COCl)2, DMF / CH₂Cl₂ / Ambient temperature

2: Et₃N / tetrahydrofuran / Ambient temperature

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1016/0040-4020(94)00907-C