4-[[5-(2-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Base Information

Chemical Name:4-[[5-(2-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CAS No.:5302-36-3
Molecular Formula:C18H15ClN4S
Molecular Weight:224.26
Hs Code.:
DSSTox Substance ID:DTXSID20365901
Wikidata:Q82150932

Synonyms:5302-36-3;4-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile;DTXSID20365901;STL299225;AKOS022109466;4-({[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile;4-(((5-(2-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile

Suppliers and Price of 4-[[5-(2-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Supply Marketing:

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

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Chemical Property of 4-[[5-(2-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

Chemical Property:

Vapor Pressure:4.67E-13mmHg at 25°C
Boiling Point:581.3°Cat760mmHg
Flash Point:305.4°C
Density:1.28g/cm³
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:354.0705954
Heavy Atom Count:24
Complexity:446

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC=CC=C3Cl

Technology Process of 4-[[5-(2-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile

There total 29 articles about 4-[[5-(2-Chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 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%

: 6388-74-5,53631-32-6,78038-42-3,78038-43-4,38201-14-8,71884-55-4
(2R)-2-(4-nitrophenyl)oxirane

: 75-31-0
isopropylamine

: 5054-57-9,5302-35-2,5302-36-3,7413-36-7
(-)-Nifenalol

Guidance literature:: In ethanol; for 24h; Ambient temperature;
DOI:10.1016/S0040-4020(97)00639-X

Reference yield: 90.0%

: 75-31-0
isopropylamine

: 125653-67-0
(R)-(-)-2-bromo-1-(4-nitrophenyl)ethanol

: 5054-57-9,5302-35-2,5302-36-3,7413-36-7
(-)-Nifenalol

Guidance literature:: In methanol; at 35 ℃; for 2h; sonication;
DOI:10.1016/j.tetasy.2004.12.016

Reference yield: 61.0%

: (R)-2-amino-1-(4-nitrophenyl)ethanol

: 67-64-1
acetone

: 5054-57-9,5302-35-2,5302-36-3,7413-36-7
(-)-Nifenalol

Guidance literature:: (R)-2-amino-1-(4-nitrophenyl)ethanol; acetone; With sodium cyanoborohydride; at 0 - 23 ℃; for 1h;

With water; In dichloromethane;
DOI:10.1016/j.tet.2012.02.044