2-Cyano-4,5-diaminobenzotrifluoride, 4-Cyano-5-(trifluoromethyl)benzene-1,2-diamine

Base Information

• Chemical Name: 2-Cyano-4,5-diaminobenzotrifluoride, 4-Cyano-5-(trifluoromethyl)benzene-1,2-diamine
• CAS No.: 882978-62-3
• Molecular Formula: C8H6F3N3
• Molecular Weight: 201.151
• Hs Code.: 2926909090
• Mol file: 882978-62-3.mol

Synonyms:4-Cyano-5-(trifluoromethyl)benzene-1,2-diamine;2-Cyano-4,5-diaminobenzotrifluoride;5-cyano-6-trifluoromethyl-1,2-phenylenediamine;4,5-diamino-2-trifluoromethylbenzonitrile;

Chemical Property of 2-Cyano-4,5-diaminobenzotrifluoride, 4-Cyano-5-(trifluoromethyl)benzene-1,2-diamine

Chemical Property:

• PSA: 75.83000
• LogP: 2.90388

Purity/Quality:

97% ^*data from raw suppliers

4,5-Diamino-2-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Cyano-4,5-diaminobenzotrifluoride, 4-Cyano-5-(trifluoromethyl)benzene-1,2-diamine

There total 1 articles about 2-Cyano-4,5-diaminobenzotrifluoride, 4-Cyano-5-(trifluoromethyl)benzene-1,2-diamine 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: 91.0%

4-amino-5-nitro-2-(trifluoromethyl)benzonitrile (1155800-54-6) → 5-cyano-6-trifluoromethyl-1,2-phenylenediamine (882978-62-3)

Guidance literature:

With hydrogenchloride; stannous chloride dihydrate; In tetrahydrofuran; water; at 0 - 20 ℃; Inert atmosphere; Large scale reaction;

DOI:10.1021/op9000498

Reference yield: 90.0%

5-cyano-6-trifluoromethyl-1,2-phenylenediamine (882978-62-3) + 2-(3-(methoxycarbonyl)phenyl) acetic acid (52787-19-6) → methyl 3-(2-(2-amino-5-cyano-4-(trifluoromethyl)phenylamino)-2-oxoethyl)benzoate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; carbonic acid dimethyl ester; In dichloromethane; at 25 ℃; for 1h;

Reference yield:

5-cyano-6-trifluoromethyl-1,2-phenylenediamine (882978-62-3) → 3-(6-cyano-1-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-2-ylamino)-N-hydroxybenzamide

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium hydroxide / ethanol / 5 h / 90 °C

2.1: bromine; acetic acid; hydrogen bromide / 3 h / 0 °C

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 0 °C

3.2: 1 h / 0 °C

3.3: 1 h / 150 °C / Microwave irradiation

4.1: lithium hydroxide monohydrate / tetrahydrofuran; water / 10 h / 20 °C

5.1: 4-methyl-morpholine; hydroxylamine hydrochloride / N,N-dimethyl acetamide / 10 h / 20 °C

With 4-methyl-morpholine; lithium hydroxide monohydrate; hydroxylamine hydrochloride; hydrogen bromide; bromine; sodium hydride; acetic acid; potassium hydroxide; In tetrahydrofuran; ethanol; N,N-dimethyl acetamide; water; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

4-amino-5-nitro-2-(trifluoromethyl)benzonitrile