Propanoic acid, 3-oxo-3-[(phenylmethyl)thio]-

Base Information

Chemical Name:Propanoic acid, 3-oxo-3-[(phenylmethyl)thio]-
CAS No.:61668-14-2
Molecular Formula:C10H10O3S
Molecular Weight:210.254
Hs Code.:
DSSTox Substance ID:DTXSID00473518
Nikkaji Number:J1.884.246G

Synonyms:61668-14-2;Propanoic acid, 3-oxo-3-[(phenylmethyl)thio]-;DTXSID00473518

Suppliers and Price of Propanoic acid, 3-oxo-3-[(phenylmethyl)thio]-

Supply Marketing:

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

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Chemical Property of Propanoic acid, 3-oxo-3-[(phenylmethyl)thio]-

Chemical Property:

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)CSC(=O)CC(=O)O

Technology Process of Propanoic acid, 3-oxo-3-[(phenylmethyl)thio]-

There total 8 articles about Propanoic acid, 3-oxo-3-[(phenylmethyl)thio]- 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: 90.0%

: 141-82-2
malonic acid

: 100-53-8
phenylmethanethiol

: 61668-14-2
S-benzyl malonic acid half thioester

Guidance literature:: With ethyl phosphate; In tetrahydrofuran; chloroform; for 30h; Ambient temperature;
DOI:10.1246/bcsj.55.2303

Reference yield: 55.0%

: 51932-41-3
malonic acid monochloride

: 100-53-8
phenylmethanethiol

: 61668-14-2
S-benzyl malonic acid half thioester

Guidance literature:: In neat (no solvent); at 65 ℃; for 2h;
DOI:10.1002/chem.201605148

Reference yield: 54.0%

: 32362-99-5
benzylthioacetate

: C₈H₁₂N₃O₃^(1-)*Br^(1-)*Mg⁽²⁺⁾

: 61668-14-2
S-benzyl malonic acid half thioester

Guidance literature:: With carbon dioxide; In N,N-dimethyl-formamide; for 65h; under 2206.5 Torr; Ambient temperature;
DOI:10.1039/c39800000326