2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester

Base Information

Chemical Name:2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester
CAS No.:51953-89-0
Molecular Formula:C11H12O2S
Molecular Weight:208.281
Hs Code.:
DSSTox Substance ID:DTXSID20425094
Mol file:51953-89-0.mol

Synonyms:ChemDiv3_013202;51953-89-0;2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester;DTXSID20425094

Suppliers and Price of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester

Supply Marketing:

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

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Chemical Property of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:208.05580079
Heavy Atom Count:14
Complexity:205

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C=CC1=CC=C(C=C1)SC

Technology Process of 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester

There total 3 articles about 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, methyl ester 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: 92.0%

: 1067-74-9
Methyl diethylphosphonoacetate

: 3446-89-7
4-(Methylthio)benzaldehyde

: 51953-89-0
(E)-3-(4-Methylsulfanyl-phenyl)-acrylic acid methyl ester

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 0 - 25 ℃; for 2.5h;
DOI:10.1055/s-0031-1289858

Reference yield:

: 5927-18-4
trimethyl phosphonoacetate

: 3446-89-7
4-(Methylthio)benzaldehyde

: 51953-89-0
(E)-3-(4-Methylsulfanyl-phenyl)-acrylic acid methyl ester

Guidance literature:: trimethyl phosphonoacetate; With sodium hydride; In 1,2-dimethoxyethane; mineral oil; at 0 ℃; for 0.25h; Inert atmosphere;

4-(Methylthio)benzaldehyde; In 1,2-dimethoxyethane; mineral oil; at 0 ℃; for 0.5h; Further stages; Inert atmosphere;
DOI:10.1021/jacs.1c00745