1,2-Propanediol, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-

Base Information

Chemical Name:1,2-Propanediol, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-
CAS No.:107711-01-3
Molecular Formula:C₂₁H₁₆Cl₂FN₃O₂S
Molecular Weight:464.347
Hs Code.:
DSSTox Substance ID:DTXSID60910499
Wikidata:Q82880359
Mol file:107711-01-3.mol

Synonyms:107711-01-3;1,2-Propanediol, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-;DTXSID60910499;(1S,2R)-2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol;2-(2,4-Dichlorophenyl)-1-(4-fluorophenyl)-1-(thiophen-2-yl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol

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Supply Marketing:

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

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Chemical Property of 1,2-Propanediol, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-

Chemical Property:

Vapor Pressure:4.04E-19mmHg at 25°C
Boiling Point:674.6°C at 760 mmHg
Flash Point:361.8°C
PSA：99.41000
Density:1.46g/cm³
LogP:4.60940
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:463.0324315
Heavy Atom Count:30
Complexity:589

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CSC(=C1)C(C2=CC=C(C=C2)F)(C(CN3C=NC=N3)(C4=C(C=C(C=C4)Cl)Cl)O)O
Isomeric SMILES:C1=CSC(=C1)[C@](C2=CC=C(C=C2)F)([C@](CN3C=NC=N3)(C4=C(C=C(C=C4)Cl)Cl)O)O

Technology Process of 1,2-Propanediol, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-

There total 3 articles about 1,2-Propanediol, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- 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: 53.0%

: 5713-61-1
thiophen-2-yl magnesium bromide

: 107659-20-1
2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-2-hydroxy-3-imidazol-1-yl-propan-1-one

: 107711-01-3
(1S,2R)-2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-1-thiophen-2-yl-3-[1,2,4]triazol-1-yl-propane-1,2-diol

Guidance literature:: In tetrahydrofuran; diethyl ether; for 1h; Ambient temperature;
DOI:10.1021/jm00389a016

Reference yield:

: 1-(2,4-Dichloro-phenyl)-2-(4-fluoro-phenyl)-ethane-1,2-dione

: 107711-01-3
(1S,2R)-2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-1-thiophen-2-yl-3-[1,2,4]triazol-1-yl-propane-1,2-diol

Guidance literature:: Multi-step reaction with 3 steps

1: diethyl ether; dioxane / 16 h / Ambient temperature

2: 1.) NaH / 1.) DMF, RT, 5 min, 2.) DMF, 50 deg C, 17 h

3: 53 percent / tetrahydrofuran; diethyl ether / 1 h / Ambient temperature

With sodium hydride; In tetrahydrofuran; 1,4-dioxane; diethyl ether;
DOI:10.1021/jm00389a016

Reference yield:

: [2-(2,4-Dichloro-phenyl)-oxiranyl]-(4-fluoro-phenyl)-methanone

: 107711-01-3
(1S,2R)-2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-1-thiophen-2-yl-3-[1,2,4]triazol-1-yl-propane-1,2-diol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, RT, 5 min, 2.) DMF, 50 deg C, 17 h

2: 53 percent / tetrahydrofuran; diethyl ether / 1 h / Ambient temperature

With sodium hydride; In tetrahydrofuran; diethyl ether;
DOI:10.1021/jm00389a016