Benzoic acid, 3-isothiocyanato-5-(trifluoromethyl)-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 3-isothiocyanato-5-(trifluoromethyl)-, ethyl ester
• CAS No.: 918123-63-4
• Molecular Formula: C11H8F3NO2S
• Molecular Weight: 275.24700
• Mol file: 918123-63-4.mol

Synonyms:Benzoic acid,3-isothiocyanato-5-(trifluoromethyl)-,ethyl ester;

Chemical Property of Benzoic acid, 3-isothiocyanato-5-(trifluoromethyl)-, ethyl ester

Chemical Property:

• PSA: 70.75000
• LogP: 3.61640

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 3-isothiocyanato-5-(trifluoromethyl)-, ethyl ester

There total 1 articles about Benzoic acid, 3-isothiocyanato-5-(trifluoromethyl)-, ethyl ester 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%

ethyl 3-amino-5-(trifluoromethyl)benzoate (188781-43-3) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → ethyl 3-isothiocyanato-5-(trifluoromethyl)benzoate (918123-63-4)

Guidance literature:

With 1H-imidazole; In acetonitrile; at 20 ℃; for 1.5h;

DOI:10.1055/s-2006-950196

Reference yield: 82.0%

ethyl 3-isothiocyanato-5-(trifluoromethyl)benzoate (918123-63-4) + (1R,2R)-N,N-dimethylcyclohexane-1,2-diamine (320778-92-5) → C19H26F3N3O2S (918123-65-6)

Guidance literature:

In benzene; at 20 ℃; for 3h;

DOI:10.1055/s-2006-950196

upstream raw materials:

ethyl 3-amino-5-(trifluoromethyl)benzoate

1,1'-Thiocarbonyldiimidazole

Downstream raw materials:

C₁₉H₂₆F₃N₃O₂S