4-CHLORO-1-OXO-1-(4-TRIFLUOROMETHOXYPHENYL)BUTANE

Base Information

• Chemical Name: 4-CHLORO-1-OXO-1-(4-TRIFLUOROMETHOXYPHENYL)BUTANE
• CAS No.: 898761-60-9
• Molecular Formula: C₁₁H₁₀ClF₃O₂
• Molecular Weight: 266.647
• Mol file: 898761-60-9.mol

Synonyms:4-CHLORO-1-OXO-1-(4-TRIFLUOROMETHOXYPHENYL)BUTANE

Chemical Property of 4-CHLORO-1-OXO-1-(4-TRIFLUOROMETHOXYPHENYL)BUTANE

Chemical Property:

• Vapor Pressure: 0.000561mmHg at 25°C
• Boiling Point: 311.5°C at 760 mmHg
• Flash Point: 122.2°C
• PSA: 26.30000
• Density: 1.295g/cm³
• LogP: 3.78690

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-1-oxo-1-(4-trifluoromethoxyphenyl)butane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CHLORO-1-OXO-1-(4-TRIFLUOROMETHOXYPHENYL)BUTANE

There total 2 articles about 4-CHLORO-1-OXO-1-(4-TRIFLUOROMETHOXYPHENYL)BUTANE 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: 83.0%

1-(4-(trifluoromethoxy)phenyl)cyclobutan-1-ol (164171-88-4) → 4-chloro-1-(4-(trifluoromethoxy)phenyl)butan-1-one (898761-60-9)

Guidance literature:

With 1,10-Phenanthroline; tert-butylhypochlorite; silver trifluoromethanesulfonate; In acetonitrile; at 20 ℃; for 6h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b03649

Reference yield:

1-bromo-4-(trifluoromethoxy)benzene (407-14-7) → 4-chloro-1-(4-(trifluoromethoxy)phenyl)butan-1-one (898761-60-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / -78 °C / Inert atmosphere; Sealed tube

1.2: -78 - 20 °C / Inert atmosphere; Sealed tube

2.1: acetic acid; manganese(II) triflate; magnesium chloride; lithium perchlorate / acetonitrile / 3.5 h / 25 °C / Inert atmosphere; Electrochemical reaction; Sealed tube

With n-butyllithium; manganese(II) triflate; lithium perchlorate; acetic acid; magnesium chloride; In tetrahydrofuran; hexane; acetonitrile;

DOI:10.1021/acs.orglett.9b03652

upstream raw materials:

1-(4-(trifluoromethoxy)phenyl)cyclobutan-1-ol

1-bromo-4-(trifluoromethoxy)benzene

Refernces

• 1、 Huang, Feng-Qing,Xie, Jian,Sun, Jian-Guo,Wang, Yue-Wei,Dong, Xin,Qi, Lian-Wen,Zhang, Bo. "Regioselective Synthesis of Carbonyl-Containing Alkyl Chlorides via Silver-Catalyzed Ring-Opening Chlorination of Cycloalkanols". supporting information. p. 684 - 687. Retrieved 2016/03/01.