Butoconazole

Base Information

• Chemical Name: Butoconazole
• CAS No.: 67085-13-6
• Molecular Formula: C₁₉H₁₇Cl₃N₂S
• Molecular Weight: 411.782
• Mol file: 67085-13-6.mol

Synonyms:1H-Imidazole,1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, (?à)-;Butaconazole;Butoconazole;1-{4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole;(±)-1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole;

Chemical Property of Butoconazole

Chemical Property:

• Vapor Pressure: 2.76E-12mmHg at 25°C
• Refractive Index: 1.633
• Boiling Point: 566.9 °C at 760 mmHg
• Flash Point: 296.7 °C
• Density: 1.32 g/cm³

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butoconazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Butoconazole

There total 17 articles about Butoconazole 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:

1-chloro-4-(4-chlorophenyl)-2-butanol (59363-13-2) → butoconazole (64872-76-0,67085-13-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride / N,N-dimethyl-formamide / 4.5 h / 20 - 60 °C

2: thionyl chloride / 1 h / 69 °C

3: potassium carbonate / acetone / 22 h / 51 °C

With thionyl chloride; sodium hydride; potassium carbonate; In N,N-dimethyl-formamide; acetone;

Reference yield:

1-[2-chloro-4-(4-chlorophenyl)-n-butyl]imidazole (67085-12-5) + 2,6-dichlorothiophenol (24966-39-0) → butoconazole (64872-76-0,67085-13-6)

Guidance literature:

With potassium carbonate; In acetone; at 51 ℃; for 22h; Temperature;

Reference yield:

(2S)-1-<2-hydroxy-4-(4-chlorophenyl)butyl>-1H-imidazole (151909-79-4) → (2R)-1-<2-(2,6-dichlorophenylthio)-4-(4-chlorophenyl)butyl>-1H-imidazole (67085-13-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / tetrahydrofuran / 1 h / Ambient temperature

2: K₂CO₃ / acetone / 16 h / Heating

With potassium carbonate; triethylamine; In tetrahydrofuran; acetone;

DOI:10.1016/S0957-4166(00)80353-5

upstream raw materials:

1-[2-chloro-4-(4-chlorophenyl)-n-butyl]imidazole

2,6-dichlorothiophenol

1-Chloro-4-(chloromethyl)benzene

1-chloro-4-(4-chlorophenyl)-2-butanol

Refernces

• 1、 -. "Preparation method of butoconazole nitrate". Paragraph 0033; 0038; 0043; 0048; 0053; 0058. . Retrieved 2018/01/11.
• 2、 Rotstein, David M.,Walker, Keith A. M.. "The Synthesis and Antifungal Activity of the Enantiomers of Butoconazole Nitrate". . p. 1521 - 1526. Retrieved 2007/10/02.