3-(Phenylthio)acrylic acid

Base Information

Chemical Name:3-(Phenylthio)acrylic acid
CAS No.:63413-91-2
Molecular Formula:C9H8O2S
Molecular Weight:180.2236
Hs Code.:2930909090
European Community (EC) Number:625-940-4,838-703-7
UNII:33GG76Q229
Wikidata:Q27455338

Synonyms:3-(Phenylthio)acrylic acid;3-(Phenylthio)-2-propenoic acid;33GG76Q229;NSC-122682;UNII-33GG76Q229;63413-91-2;3-phenylsulfanyl-acrylic acid;706-01-4;2-Propenoic acid, 3-(phenylthio)-;QCLSYKCZWZYPIX-UHFFFAOYSA-N;AKOS028111382;3-(PHENYLSULFANYL)PROP-2-ENOIC ACID;Q27455338

Suppliers and Price of 3-(Phenylthio)acrylic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(Phenylthio)acrylicAcid
100mg
$ 65.00

TRC
3-(Phenylthio)acrylicAcid
500mg
$ 220.00

Sigma-Aldrich
3-(Phenylthio)acrylic acid, mixture of cis and trans 98%
5g
$ 90.90

American Custom Chemicals Corporation
3-(PHENYLTHIO)ACRYLIC ACID 95.00%
1G
$ 629.53

Total 5 raw suppliers

Chemical Property of 3-(Phenylthio)acrylic acid

Chemical Property:

Vapor Pressure:7.15E-05mmHg at 25°C
Melting Point:102-106oC(lit.)
Boiling Point:329.4°Cat760mmHg
Flash Point:153°C
PSA：62.60000
Density:1.27g/cm³
LogP:2.37700
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.02450067
Heavy Atom Count:12
Complexity:171

Purity/Quality:

99% ^*data from raw suppliers

3-(Phenylthio)acrylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-(Phenylthio)acrylic acid

There total 37 articles about 3-(Phenylthio)acrylic 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: 98.0%

: 108-98-5
thiophenol

: 471-25-0
Propiolic acid

: 706-01-4,63413-91-2
(2Z)-3-(phenylthio)acrylic acid

Guidance literature:: thiophenol; With sodium ethanolate; In ethanol; at 20 ℃; Cooling with ice;

Propiolic acid; In tetrahydrofuran; ethanol; water; at 20 ℃; Reflux;
DOI:10.1021/ja804121j

Reference yield: 85.0%

: 591-50-4
iodobenzene

: 471-25-0
Propiolic acid

: 706-01-4,63413-91-2
(2Z)-3-(phenylthio)acrylic acid

Guidance literature:: With trans-bis(triphenylphosphine)palladium dichloride; sodium sulfide pentahydrate; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,4-di(diphenylphosphino)-butane; In dimethyl sulfoxide; at 50 ℃; for 12h; Reagent/catalyst; Temperature; Time; stereoselective reaction;
DOI:10.1002/adsc.201201106

Reference yield: 76.0%

: 930-69-8
sodium thiophenolate

: 471-25-0
Propiolic acid

: 706-01-4,63413-91-2
(2Z)-3-(phenylthio)acrylic acid

Guidance literature:: With trans-bis(triphenylphosphine)palladium dichloride; sodium sulfide pentahydrate; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,4-di(diphenylphosphino)-butane; In dimethyl sulfoxide; at 50 ℃; for 12h; Reagent/catalyst; stereoselective reaction;
DOI:10.1002/adsc.201201106