1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-

Base Information

Chemical Name:1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-
CAS No.:107659-86-9
Molecular Formula:C₁₈H₁₄Cl₂FN₃O₂
Molecular Weight:394.232
Hs Code.:
DSSTox Substance ID:DTXSID20910470
Wikidata:Q82880311
ChEMBL ID:CHEMBL266615
Mol file:107659-86-9.mol

Synonyms:107659-86-9;1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-;1-[[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole;CHEMBL266615;DTXSID20910470;1-{[4-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole;1H-1,2,4-Triazole, 1-[[rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-

Suppliers and Price of 1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-

Supply Marketing:

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

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Chemical Property of 1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-

Chemical Property:

Vapor Pressure:3.66E-11mmHg at 25°C
Boiling Point:526.2°Cat760mmHg
Flash Point:272°C
Density:1.46g/cm³
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:393.0447102
Heavy Atom Count:26
Complexity:483

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC(C(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)F
Isomeric SMILES:C1O[C@@H]([C@@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)F

Technology Process of 1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-

There total 4 articles about 1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)- 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:

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

: 107659-86-9
1-[(4R,5S)-4-(2,4-Dichloro-phenyl)-5-(4-fluoro-phenyl)-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 4 steps

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

2: NaH / dimethylformamide / 0.33 h / 50 °C

3: 70 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

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

With sodium tetrahydroborate; sodium hydride; In 1,4-dioxane; diethyl ether; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00389a016

Reference yield:

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

: 107659-86-9
1-[(4R,5S)-4-(2,4-Dichloro-phenyl)-5-(4-fluoro-phenyl)-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 3 steps

1: NaH / dimethylformamide / 0.33 h / 50 °C

2: 70 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

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

With sodium tetrahydroborate; sodium hydride; In ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00389a016

Reference yield:

: 94147-89-4,107658-61-7
2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-2-hydroxy-3-[1,2,4]triazol-1-yl-propan-1-one

: 107659-86-9
1-[(4R,5S)-4-(2,4-Dichloro-phenyl)-5-(4-fluoro-phenyl)-[1,3]dioxolan-4-ylmethyl]-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / NaBH₄ / ethanol / 1 h / Ambient temperature

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

With sodium tetrahydroborate; sodium hydride; In ethanol;
DOI:10.1021/jm00389a016