2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate

Base Information

• Chemical Name: 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate
• CAS No.: 1449698-48-9
• Molecular Formula: C₉H₂ClF₃N₂O₃S
• Molecular Weight: 310.641
• Mol file: 1449698-48-9.mol

Synonyms:2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate

Chemical Property of 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate

There total 4 articles about 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate 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:

2-chloro-3-nitro-5-(trifluoromethyl)benzoyl chloride (87033-30-5) + ammonium thiocyanate (1147550-11-5) → 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate (1449698-48-9)

Guidance literature:

With PEG-400; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmcl.2013.06.069

Reference yield:

ammonium thiocyanate + 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl chloride (87033-30-5) → 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate (1449698-48-9)

Guidance literature:

With 18-crown-6 ether; In toluene; at 20 ℃; for 2h;

Reference yield:

2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid (22227-59-4) → 2-chloro-3-nitro-5-(trifluoromethyl)benzoyl isothiocyanate (1449698-48-9)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C

2: PEG-400 / dichloromethane / 1.5 h / 20 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/j.bmcl.2013.06.069

upstream raw materials:

2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid

2-chloro-3-nitro-5-(trifluoromethyl)benzoyl chloride

ammonium thiocyanate

2-chloro-5-trifluoromethylbenzoic acid

Downstream raw materials:

BTZ043