(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate

Base Information

• Chemical Name: (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate
• CAS No.: 133775-26-5
• Molecular Formula: C₁₃H₁₅F₂N₃O₄S
• Molecular Weight: 347.343
• DSSTox Substance ID: DTXSID601114333

Synonyms:(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate;133775-26-5;SCHEMBL9045287;SFXKCYSWTNZNHM-NOZJJQNGSA-N;DTXSID601114333;(2R,3R)-2-(2,4-difluorophenyl)-3-methanesulfonyloxy-1-(1H-1,2,4-triazol-1-yl)-2-butanol;2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, 3-methanesulfonate, [R-(R*,R*)]-

Chemical Property of (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 347.07513347
• Heavy Atom Count: 23
• Complexity: 504

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)OS(=O)(=O)C
• Isomeric SMILES: C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)OS(=O)(=O)C

Technology Process of (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate

There total 17 articles about (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl methanesulfonate 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: 99.0%

methanesulfonyl chloride (124-63-0) + (2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol (132507-89-2,132507-94-9,135270-05-2,135270-11-0,135272-36-5,133775-25-4) → (2R,3R)-2-(2,4-difluorophenyl)-3-methanesulfonyloxy-1-(1H-1,2,4-triazol-1-yl)-2-butanol (126945-34-4,132507-78-9,135270-06-3,135270-09-6,135270-12-1,133775-26-5)

Guidance literature:

With pyridine; at 20 ℃; for 6h;

DOI:10.5012/bkcs.2010.31.11.3467

Reference yield: 93.0%

threo-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol (132507-89-2,132507-94-9,133775-25-4,135270-05-2,135270-11-0,135272-36-5) + methanesulfonyl chloride (124-63-0) → Methanesulfonic acid (1S,2S)-2-(2,4-difluoro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl ester (126945-34-4,132507-78-9,133775-26-5,135270-06-3,135270-09-6,135270-12-1)

Guidance literature:

With pyridine; for 2h; Ambient temperature;

DOI:10.1248/cpb.38.2476

Reference yield: 59.0%

(2R,3S)-2-(2,4-Difluoro-phenyl)-1-[1,2,4]triazol-1-yl-butane-2,3-diol (132507-89-2,132507-94-9,133775-25-4,135270-05-2,135270-11-0,135272-36-5) + methanesulfonyl chloride (124-63-0) → 1-[(2S,3S)-2-(2,4-Difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole (124627-86-7,127000-90-2,132563-70-3,132563-77-0,135270-07-4,135270-10-9,135270-13-2,141611-70-3) + Methanesulfonic acid (1R,2S)-2-(2,4-difluoro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl ester (126945-34-4,132507-78-9,133775-26-5,135270-06-3,135270-09-6,135270-12-1)

Guidance literature:

With pyridine; for 2h; Ambient temperature;

DOI:10.1248/cpb.38.2476

upstream raw materials:

threo-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol

methanesulfonyl chloride

(2R,3S)-2-(2,4-Difluoro-phenyl)-1-[1,2,4]triazol-1-yl-butane-2,3-diol

(2R^*,3R^*)-2-(2,4-Difluorophenyl)-1,2,3-butanetriol

Downstream raw materials:

(2R^*,3S^*)-2-(2,4-Difluorophenyl)-3-methyl-2-<(1H-1,2,4-triazol-1-yl)methyl>oxirane

Trifluoro-acetic acid (1R,2S)-2-(2,4-difluoro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl ester

(E)-1-[(4S,5S)-5-(2,4-Difluoro-phenyl)-4-methyl-5-[1,2,4]triazol-1-ylmethyl-oxazolidin-3-yl]-3-(4-trifluoromethyl-phenyl)-propenone

1-[(2S,3S)-2-(2,4-Difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole

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