166948-49-8

Basic information

• Product Name: (αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid
• Synonyms: (αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid;(alphaR,betaR)-beta-(2,4-Difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanoic acid;[R-(R*,R*)]-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanoic Acid;(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanoic acid
• CAS NO: 166948-49-8
• Molecular Formula: C₁₃H₁₃F₂N₃O₃
• Molecular Weight: 297.2574264
• Product Categories: Aromatics;Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 166948-49-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 212-213℃
• Boiling Point: 515.1±60.0 °C(Predicted)
• Appearance: /
• Density: 1.45
• Solubility: DMSO, Ethyl Acetate, Methanol
• PKA: 3.95±0.24(Predicted)
• CAS DataBase Reference: (αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid(CAS DataBase Reference)
• NIST Chemistry Reference: (αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid(166948-49-8)
• EPA Substance Registry System: (αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic Acid(166948-49-8)

Safety Data

• Hazardous Substances Data: 166948-49-8(Hazardous Substances Data)

Usage

Uses

Intermediate in the preparation of Albaconazole.

Upstream product

• 288-88-0 1,2,4-Triazole 
• 166948-48-7 (2R,3R)-3-[3-(2,4-difluorophenyl)-3,4-epoxy-2-methyl]butanoic acid 
• 41253-21-8 sodium triazole 
• 944472-98-4 (4S)-5,5-diphenyl-4-isopropyl-3-[(2R,3R)-4-chloro-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-1-oxobutyl]-1,3-oxazolidin-2-one 
• 51336-94-8 2-chloro-1-(2,4-dichlorophenyl)ethanone 
• 1165800-96-3 (2R,3R)-2-(2,4-difluorophenyl)-3-benzoyloxy-2-methyl-4-[1,2,4]triazol-1-ylbutyric acid 
• 86404-63-9 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazolyl)ethanone 

Downstream Products

• 169058-26-8 (4R,5R)-4-(2,4-Difluorophenyl)-5-methyl-4-<(1H-1,2,4-triazol-1-yl)methyl>-2-oxazolidinone 
• 170862-53-0 (2S,3R)-3-(2,4-difluorophenyl)-2-methyl-4-(1H-1,2,4-triazol-1-yl)butane-1,3-diol 
• 1165800-97-4 (3R,4R)-4-(2,4-difluorophenyl)-3-methyl-4-[1,2,4]triazol-1-ylmethyloxetan-2-one 
• 219872-85-2 (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanamide 
• 170863-34-0 (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanethioamide 

Relevant articles and documents

AN IMPROVED PROCESS FOR THE PREPARATION OF TRIAZOLE DERIVATIVES

The present invention relates to an improved process for the preparation of triazole derivatives such as ravuconazole and isavuconazole.

Asymmetric zinc-Reformatsky reaction of Evans chiral imide with acetophenones and its application to the stereoselective synthesis of triazole antifungal agents

The Ni(acac)2 catalytic ZnEt2-mediated asymmetric Reformatsky-type reaction of Evans chiral imide with various acetophenones was studied. The chiral imido zinc enolate, which was formed through the metal-halogen exchange reaction of

Orally active azole derivatives

The present invention relates to new orally active azole derivatives with antifungal activity of formula I STR1 wherein: X is CH or N; Ar represents phenyl substituted with halogen and/or trifluoromethyl; Z is --C(=O)-- or --SO2 --; R1 is CN, CO2 H, CO2 R7, CONR8 R9 or CH2 Y and then R3 is hydrogen, or R1 together with R3 forms a ring of formula I' STR2 wherein B is O, hydroxy or hydrogen; R4 is C1-4 alkyl; R5, R6, R8 and R9 are hydrogen or C1-4 alkyl; Y is --OH, --OR7, --OC(=O)R7, --NR8 R9, --NHC(=O)OR7 ; R7 is C1 -C4 -alkyl, phenyl-C1 -C4 -alkyl or optionally substituted phenyl; when Z is --C(=O)--, R2 is optionally susbtituted phenyl, or naphtyl; when Z is --SO2 --, R2 is C1-4 alkyl, phenyl-C1-4 -alkyl or optionally susbtituted phenyl.