1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone

Base Information

• Chemical Name: 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone
• CAS No.: 80087-23-6
• Molecular Formula: C17H22 N4 O S
• Molecular Weight: 330.45
• Mol file: 80087-23-6.mol

Synonyms:1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone

Chemical Property of 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone

Chemical Property:

• Vapor Pressure: 3.54E-11mmHg at 25°C
• Boiling Point: 526.5°C at 760 mmHg
• Flash Point: 272.2°C
• PSA: 85.97000
• Density: 1.28g/cm³
• LogP: 3.68400

Purity/Quality:

1-CYCLOHEXYL-4-(1-PHENYL-5-TETRAZOLYL)THIO-1-BUTANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone

There total 2 articles about 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone 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: 50.0%

4-bromo-1-cyclohexyl-1-butanone (80086-22-2) + 1-Phenyl-1H-tetrazole-5-thiol (86-93-1) → 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone (80087-23-6)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating;

DOI:10.1248/cpb.37.958

Reference yield:

α-cyclohexylcarbonyl-γ-butyrolactone (58688-33-8) → 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone (80087-23-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / HBr / 6 h / Heating

2: 50 percent / K₂CO₃ / acetone / 3 h / Heating

With hydrogen bromide; potassium carbonate; In acetone;

DOI:10.1248/cpb.37.958

Reference yield: 78.0%

1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)thio-1-butanone (80087-23-6) → 1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)-sulfinyl-1-butanone (123039-49-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1248/cpb.37.958

upstream raw materials:

4-bromo-1-cyclohexyl-1-butanone

1-Phenyl-1H-tetrazole-5-thiol

α-cyclohexylcarbonyl-γ-butyrolactone

Downstream raw materials:

1-cyclohexyl-4-(1-phenyl-5-tetrazolyl)-sulfinyl-1-butanone

Refernces