3-Methyl-2-phenylsulfanylbut-2-enoic acid

Base Information

Chemical Name:3-Methyl-2-phenylsulfanylbut-2-enoic acid
CAS No.:60582-26-5
Molecular Formula:C11H12O2S
Molecular Weight:208.27700
Hs Code.:
DSSTox Substance ID:DTXSID60450087

Synonyms:3-methyl-2-phenylsulfanylbut-2-enoic acid;60582-26-5;2-Butenoic acid, 3-methyl-2-(phenylthio)-;DTXSID60450087;3-methyl-2-(phenylsulfanyl)-2-butenoic acid

Suppliers and Price of 3-Methyl-2-phenylsulfanylbut-2-enoic 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-Methyl-2-phenylsulfanylbut-2-enoic acid

Chemical Property:

PSA：62.60000
LogP:3.15720
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:208.05580079
Heavy Atom Count:14
Complexity:236

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C(C(=O)O)SC1=CC=CC=C1)C

Technology Process of 3-Methyl-2-phenylsulfanylbut-2-enoic acid

There total 5 articles about 3-Methyl-2-phenylsulfanylbut-2-enoic 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: 70.0%

: 145385-78-0
ethyl 3-methyl-2-phenylthio-3-butenoate

: 60582-26-5
3-methyl-2-phenylthio-2-butenoic acid

Guidance literature:: With sodium hydroxide; In ethanol; for 6h; Heating;
DOI:10.1246/bcsj.65.2794

Reference yield:

: 7605-25-6
ethyl phenylsulfenylacetate

: 60582-26-5
3-methyl-2-phenylthio-2-butenoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) lithium diisopropylamide (LDA) / 1.) THF, -78 deg C, 1 h, 2.) THF, -78 deg C, 3 h

2: 67 percent / p-toluenesulfonic acid / benzene / 6 h / Heating

3: 70 percent / 10percent NaOH / ethanol / 6 h / Heating

With sodium hydroxide; toluene-4-sulfonic acid; lithium diisopropyl amide; In ethanol; benzene;
DOI:10.1246/bcsj.65.2794

Reference yield:

: 145385-77-9
ethyl 3-hydroxy-3-methyl-2-(phenylthio)butanoate

: 60582-26-5
3-methyl-2-phenylthio-2-butenoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / p-toluenesulfonic acid / benzene / 6 h / Heating

2: 70 percent / 10percent NaOH / ethanol / 6 h / Heating

With sodium hydroxide; toluene-4-sulfonic acid; In ethanol; benzene;
DOI:10.1246/bcsj.65.2794