1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole

Base Information

Chemical Name:1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole
CAS No.:135270-07-4
Molecular Formula:C12H11F2N3O
Molecular Weight:251.2320464
Hs Code.:
UNII:V52S6F4ZWE
Nikkaji Number:J1.561.745D
Mol file:135270-07-4.mol

Synonyms:135270-07-4;1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole;1-[[(2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole;1-{[(2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazole;QANJLSHZDUOBBP-PELKAZGASA-N;(2s,3r)-2-(2,4-difluorophenyl)-3-methyl-2-[(1h-1,2,4-triazol-1-yl)methyl]oxirane;V52S6F4ZWE;SCHEMBL3949948;(2S,3R)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane;1-((2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2S,3R)-;1H-1,2,4-Triazole, 1-[[(2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-;1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-, (2S-cis)-

Suppliers and Price of 1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole

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

TRC
(2S,3R)-2-(2,4-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
10mg
$ 1470.00

TRC
(2S,3R)-2-(2,4-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
1mg
$ 185.00

Total 10 raw suppliers

Chemical Property of 1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole

Chemical Property:

Boiling Point:371.6±52.0 °C(Predicted)
PKA:2.75±0.10(Predicted)
PSA：43.24000
Density:1.41±0.1 g/cm3(Predicted)
LogP:1.87050
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:251.08701831
Heavy Atom Count:18
Complexity:320

Purity/Quality:

> 95% ^*data from raw suppliers

(2S,3R)-2-(2,4-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]oxirane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
Isomeric SMILES:C[C@@H]1[C@@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
Uses (2S,3R)-2-(2,4-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]oxirane is a useful synthetic intermediate in the synthesis of ent-Efinaconazole (E435075); the S,S-enantiomer of Efinaconazole (E435070) which is a topical antifungal for onychomycosis.

Technology Process of 1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole

There total 97 articles about 1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole 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: 91.0%

: 132507-89-2,132507-94-9,135270-05-2,135270-11-0,135272-36-5,133775-25-4
(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol

: 124627-86-7,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3,127000-90-2
1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole

Guidance literature:: (2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol; With methanesulfonyl chloride; triethylamine; In tetrahydrofuran; at 0 ℃; for 0.333333h;

With tetrabutylammomium bromide; sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h; enantioselective reaction;
DOI:10.1021/acs.orglett.1c02588