2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile

Base Information

Chemical Name:2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile
CAS No.:62455-63-4
Molecular Formula:C₁₃H₁₃NO₂S₂
Molecular Weight:279.384
Hs Code.:2930909090
DSSTox Substance ID:DTXSID20380957
Mol file:62455-63-4.mol

Synonyms:62455-63-4;2-(4-methoxybenzoyl)-3,3-di(methylthio)acrylonitrile;2-(4-methoxybenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile;2-(4-Methoxybenzoyl)-3,3-bis(methylthio)acrylonitrile;Benzenepropanenitrile, a-[bis(methylthio)methylene]-4-methoxy-b-oxo-;Maybridge3_003242;SCHEMBL7236948;DTXSID20380957;HMS1440D08;MFCD00067892;IDI1_014629;FT-0608656;J-506027;Benzenepropanenitrile,a-[bis(methylthio)methylene]-4-methoxy-b-oxo-

Suppliers and Price of 2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile

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

Matrix Scientific
2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile 97%
1g
$ 249.00

Crysdot
2-(4-Methoxybenzoyl)-3,3-bis(methylthio)acrylonitrile 97%
5g
$ 463.00

Atlantic Research Chemicals
2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile 95%
250mgs:
$ 49.48

American Custom Chemicals Corporation
2-(4-METHOXYBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE 95.00%
10G
$ 1595.98

American Custom Chemicals Corporation
2-(4-METHOXYBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE 95.00%
1G
$ 709.46

AK Scientific
2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile
1g
$ 386.00

Total 7 raw suppliers

Chemical Property of 2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile

Chemical Property:

Vapor Pressure:9.27E-07mmHg at 25°C
Melting Point:60oC
Boiling Point:404.7oC at 760 mmHg
Flash Point:198.5oC
PSA：100.69000
Density:1.238g/cm3
LogP:3.33908
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:279.03877100
Heavy Atom Count:18
Complexity:370

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 23/24/25-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(=O)C(=C(SC)SC)C#N

Technology Process of 2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile

There total 3 articles about 2-(4-Methoxybenzoyl)-3,3-di(methylthio)acrylonitrile 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: 54.0%

: 544-92-3
copper(I) cyanide

: 98606-79-2
2-bromo-1-(4-methoxyphenyl)-3,3-bis(methylthio)prop-2-en-1-one

: 62455-63-4
2-(4-Methoxy-benzoyl)-3,3-bis-methylsulfanyl-acrylonitrile

Guidance literature:: In pyridine; at 180 - 190 ℃; for 1h;
DOI:10.1055/s-1985-31141

Reference yield:

: 33868-76-7
1-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)propenone

: 62455-63-4
2-(4-Methoxy-benzoyl)-3,3-bis-methylsulfanyl-acrylonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / NBS / CCl₄ / 1.5 h / Ambient temperature

2: 54 percent / various solvent(s); pyridine / 1 h / 180 - 190 °C

With N-Bromosuccinimide; In pyridine; tetrachloromethane;
DOI:10.1055/s-1985-31141