Methyl 1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate

Base Information

Chemical Name:Methyl 1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate
CAS No.:640727-98-6
Molecular Formula:C19H15 N3 O2 S
Molecular Weight:349.413
Hs Code.:
DSSTox Substance ID:DTXSID50696351
Mol file:640727-98-6.mol

Synonyms:640727-98-6;METHYL 1-(4-CYANO-PHENYL)-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE;methyl 1-(4-cyanophenyl)-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate;SCHEMBL3870127;DTXSID50696351;methyl 1-(4-cyanophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate;SB38089;CS-0454466;Methyl 1-(4-cyanophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylate;METHYL1-(4-CYANO-PHENYL)-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Suppliers and Price of Methyl 1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate

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

J&W Pharmlab
Methyl1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate 97%
1g
$ 188.00

Total 5 raw suppliers

Chemical Property of Methyl 1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate

Chemical Property:

PSA：93.21000
LogP:3.91948
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:349.08849790
Heavy Atom Count:25
Complexity:504

Purity/Quality:

98% ^*data from raw suppliers

Methyl1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)C#N

Technology Process of Methyl 1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate

There total 3 articles about Methyl 1-(4-cyano-phenyl)-5-(4-methylsulfanyl-phenyl)-1H-pyrazole-3-carboxylate 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: 76.0%

: 2863-98-1
4-hydrazinobenzonitrile hydrochloride

: 346684-15-9
methyl (2Z)-2-hydroxy-4-(4-methylthiophenyl)-4-oxobut-2-enoate

: 640727-98-6
methyl 1-(4-cyanophenyl)-5-(4-methylthiophenyl)pyrazole-3-carboxylate

Guidance literature:: With acetic acid; at 70 ℃;
DOI:10.1021/jm030276s

Reference yield:

: 1778-09-2
4-(Methylthio)acetophenone

: 640727-98-6
methyl 1-(4-cyanophenyl)-5-(4-methylthiophenyl)pyrazole-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 79 percent / sodium methoxide / toluene / 2 h / 20 °C

2: 76 percent / acetic acid / 70 °C

With sodium methylate; acetic acid; In toluene;
DOI:10.1021/jm030276s