1,1-Bis(4-chlorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butane-1,2-diol

Base Information

Chemical Name:1,1-Bis(4-chlorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butane-1,2-diol
CAS No.:107680-22-8
Molecular Formula:C21H23 Cl2 N3 O2
Molecular Weight:406.3056
Hs Code.:
ChEMBL ID:CHEMBL10626
DSSTox Substance ID:DTXSID90910487
Mol file:107680-22-8.mol

Synonyms:107680-22-8;CHEMBL10626;DTXSID90910487;1,1-bis(4-chlorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butane-1,2-diol;1,1-Bis(4-chlorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]butane-1,2-diol;1,2-Butanediol, 1,1-bis(4-chlorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)-

Suppliers and Price of 1,1-Bis(4-chlorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butane-1,2-diol

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 3 raw suppliers

Chemical Property of 1,1-Bis(4-chlorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butane-1,2-diol

Chemical Property:

Vapor Pressure:4.08E-16mmHg at 25°C
Boiling Point:617.7°Cat760mmHg
Flash Point:327.4°C
Density:1.3g/cm³
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:405.1010823
Heavy Atom Count:27
Complexity:458

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(CN1C=NC=N1)(C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)O

Technology Process of 1,1-Bis(4-chlorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butane-1,2-diol

There total 4 articles about 1,1-Bis(4-chlorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)butane-1,2-diol 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: 89.0%

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 94147-51-0
1-(4-Chloro-phenyl)-2-hydroxy-3-methyl-2-[1,2,4]triazol-1-ylmethyl-butan-1-one

: 107680-22-8
(S)-1,1-Bis-(4-chloro-phenyl)-3-methyl-2-[1,2,4]triazol-1-ylmethyl-butane-1,2-diol

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

Reference yield:

: 71573-93-8
1-(4-chlorophenyl)-3-methyl-butan-1-one

: 107680-22-8
(S)-1,1-Bis-(4-chloro-phenyl)-3-methyl-2-[1,2,4]triazol-1-ylmethyl-butane-1,2-diol

Guidance literature:: Multi-step reaction with 4 steps

1: acetic anhydride / 0.25 h / Ambient temperature

2: 10percent aq. NaOH, 30percent aq. H₂O₂ / acetone / 0.5 h / Ambient temperature

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

4: 89 percent / tetrahydrofuran; diethyl ether / 1 h / Ambient temperature

With sodium hydroxide; dihydrogen peroxide; sodium hydride; In tetrahydrofuran; diethyl ether; acetic anhydride; acetone;
DOI:10.1021/jm00389a016

Reference yield:

: 1-(4-Chloro-phenyl)-3-methyl-2-methylene-butan-1-one

: 107680-22-8
(S)-1,1-Bis-(4-chloro-phenyl)-3-methyl-2-[1,2,4]triazol-1-ylmethyl-butane-1,2-diol

Guidance literature:: Multi-step reaction with 3 steps

1: 10percent aq. NaOH, 30percent aq. H₂O₂ / acetone / 0.5 h / Ambient temperature

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

3: 89 percent / tetrahydrofuran; diethyl ether / 1 h / Ambient temperature

With sodium hydroxide; dihydrogen peroxide; sodium hydride; In tetrahydrofuran; diethyl ether; acetone;
DOI:10.1021/jm00389a016