94361-07-6

Basic information

• Product Name: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(4-chlorophenyl)-.alpha.-(1-cyclopropylethyl)-, (R*,S*)-
• Synonyms: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(4-chlorophenyl)-.alpha.-(1-cyclopropylethyl)-, (R*,S*)-
• CAS NO: 94361-07-6
• Molecular Formula: C15H18 Cl N3 O
• Molecular Weight: 291.78
• Mol File: 94361-07-6.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 479.1±55.0 °C(Predicted)
• Appearance: /
• Density: 1.32±0.1 g/cm3(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 12.59±0.29(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(4-chlorophenyl)-.alpha.-(1-cyclopropylethyl)-, (R*,S*)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(4-chlorophenyl)-.alpha.-(1-cyclopropylethyl)-, (R*,S*)-(94361-07-6)
• EPA Substance Registry System: 1H-1,2,4-Triazole-1-ethanol, .alpha.-(4-chlorophenyl)-.alpha.-(1-cyclopropylethyl)-, (R*,S*)-(94361-07-6)

Safety Data

• Hazardous Substances Data: 94361-07-6(Hazardous Substances Data)

Usage

Uses

(αS)?-?rel-α-?(4-?Chlorophenyl)?-?α-?[(1R)?-?1-?cyclopropylethyl]?-?1H-?1,?2,?4-?triazole-?1-?ethanol is a diastereomer of Cyproconazole (C989070), a fungicide treatment for wood preservative that prevents decay from fungi in above-ground applications.

Upstream product

• 58905-19-4 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone 
• 593-71-5 Chloroiodomethane 
• 75-11-6 diiodomethane 
• 74-97-5 chlorobromomethane 
• 74-95-3 1,1-dibromomethane 
• 94361-26-9 2-(4-chlorophenyl)-3-cyclopropyl-1,2-butylene oxide 
• 41253-21-8 sodium triazole 
• 36982-56-6 (2-bromoethyl)cyclopropane 
• 288-88-0 1,2,4-Triazole 
• 38674-38-3 1-cyclopropylchloroethane 
• 937-20-2 p-chlorophenacyl chloride 
• 123989-29-7 1-(p-chlorophenyl)-2-cyclopropyl-2-methylethan-1-one 
• 123989-28-6 1-(4-chlorophenyl)-2-cyclopropyl-1-propanol 
• 104-88-1 4-chlorobenzaldehyde 

Relevant articles and documents

AN IMPROVED PROCESS FOR PREPARATION OF AN AZOLE FUNGICIDE

The present invention relates to improved process for the preparation of a fungicide of the class of azoles. The present invention specifically relates to an improved process for the preparation of (2RS,3RS;2SR,3SR)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol having the following Formula I.

Method for preparing cyproconazole with 2,4'-dichloroacetophenone being raw material

The invention relates to the field of organic synthesis and especially relates to a method for preparing cyproconazole with 2,4'-dichloroacetophenone being a raw material. The method includes: a) performing a nucleophilic substitution reaction on the 2,4'-dichloroacetophenone and 1,2,4-triazole or 1,2,4-triazole salt to obtain 1-(4-chlorophenyl)-2-(1H-1,2,4-triazole-1-yl)ethyl ketone; b) performing a nucleophilic addition reaction on the 1-(4-chlorophenyl)-2-(1H-1,2,4-triazole-1-yl)ethyl ketone with one or more of a 3-halogenated-1-butylene Grignard reagent, a 3-halogenated-1-butylene organozinc reagent, a 1-halogenated-2-butylene Grignard reagent and a 1-halogenated-2-butylene organozinc reagent, thus generating 2-(4-chlorophenyl)-3-methyl-1-(1H-1,2,4-triazole-1-yl)-4-pentene-2-ol; c) performing a ring forming reaction on the 2-(4-chlorophenyl)-3-methyl-1-(1H-1,2,4-triazole-1-yl)-4-pentene-2-ol with one or more Simmons-Smith reagents prepared from dihalogenated methane, thus preparing the cyproconazole. The preparation method is short in route, gentle in reaction and high in yield. The reactions are free of dangerous reagents, so that the method is suitable for large scale industrial production.

Novel preparation method of cycloazole alcohol

The invention relates to the field of organic synthesis, in particular to a novel preparation method of cycloazole alcohol. The method includes following steps: (1), allowing 2, 4'-dichloroacetophenone to be in nucleophilic addition reaction with 1-cyclopropyl halogenated ethane Grignard reagent or 1-cyclopropyl halogenated ethane organic zinc reagent to generate 1-chloro-2-(4-chlorphenyl)-3-cyclopropyl butyl-2-alcohol or 2-(4-chlorphenyl)-2-(1-cyclopropy ethyl)-ethylene oxide or a mixture of the two; (2), enabling the product of the step (1) to be in nucleophilic substitution reaction with 1,2, 4-triazole or 1, 2, 4-triazole salt to obtain cycloazole alcohol; or enabling 1-chloro-2-(4-chlorphenyl)-3-cyclopropyl butyl-2-alcohol to react with alkali to generate 2-(4-chlorphenyl)-2-(1-cyclopropy ethyl)-ethylene oxide, then being in ring-opening reaction with 1, 2, 4-triazole or 1, 2, 4-triazole salt to obtain cycloazole alcohol. The preparation method is short in path, high in yield, needless of sulfur reagent with foul odor, highly toxic reagent and noble metal catalyst expensive in price in the process of reaction and suitable for large-scale industrial production.