1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-

Base Information

Chemical Name:1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-
CAS No.:67817-56-5
Molecular Formula:C19H20N4O4S
Molecular Weight:400.458
Hs Code.:
NSC Number:347509
UNII:1F4QZL80IK
DSSTox Substance ID:DTXSID60218068
ChEMBL ID:CHEMBL2132643

Synonyms:67817-56-5;1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-;NSC347509;1F4QZL80IK;MLS003171054;NSC 347509;NSC-347509;N-(2-cyano-4,5-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide;N-(2-Cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-1-piperazinecarbothioamide;UNII-1F4QZL80IK;CHEMBL2132643;DTXSID60218068;N-(2-cyano-4,5-dimethoxy-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide;SMR001874963

Suppliers and Price of 1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-

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

Total 7 raw suppliers

Chemical Property of 1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-

Chemical Property:

Vapor Pressure:1.73E-13mmHg at 25°C
Boiling Point:580.9°Cat760mmHg
Flash Point:305.1°C
Density:1.39g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:400.12052631
Heavy Atom Count:28
Complexity:616

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C(=C1)C#N)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)OC

Technology Process of 1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-

There total 2 articles about 1-Piperazinecarbothioamide, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)- 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: 90.0%

: 40172-95-0
N-(furan-2-carbonyl)piperazine

: 43091-89-0
2-isothiocyanato-4,5-dimethoxybenzonitrile

: 67817-56-5
3,4-Dimethoxy-6-<4-(2-furoyl)piperazin-1-ylthiocarbamido>benzonitrile

Guidance literature:: In ethyl acetate; at 0 ℃; for 20h;
DOI:10.1002/jhet.5570170436

Reference yield:

: 26961-27-3
2-amino-4,5-dimethoxybenzonitrile

: 67817-56-5
3,4-Dimethoxy-6-<4-(2-furoyl)piperazin-1-ylthiocarbamido>benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / CaCO₃ / H₂O; CH₂Cl₂ / 1) 0-5 deg C, 1 h; 2) 20 deg C, 20 h;

2: 90 percent / ethyl acetate / 20 h / 0 °C

With calcium carbonate; In dichloromethane; water; ethyl acetate;
DOI:10.1002/jhet.5570170436