4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile

Base Information

• Chemical Name: 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile
• CAS No.: 943-25-9
• Molecular Formula: C6H3F3N4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70511815
• Wikidata: Q82370794
• Mol file: 943-25-9.mol

Synonyms:4-amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile;943-25-9;4-Amino-2-trifluoromethyl-pyrimidine-5-carbonitrile;DTXSID70511815;4-AMINO-2-(TRIFLUOROMETHYL)-5-PYRIMIDINECARBONITRILE;MFCD08436637;AKOS000320378;AB45002;AS-5993;2-trifluoromethyl-5-cyano-4-aminopyrimidine;CS-0330124

Chemical Property of 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 188.03098060
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)C(F)(F)F)N)C#N

Technology Process of 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile

There total 1 articles about 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile 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: 79.0%

1-Chloro-2,2-dicyanoethylen (10472-09-0) + trifluoroacetamidine (354-37-0,133640-88-7,133640-89-8) → 2-trifluoromethyl-5-cyano-6-aminopyrimidine (943-25-9) + 2,2,2-trifluoroacetimidamide hydrochloride (39560-95-7)

Guidance literature:

In diethyl ether; for 1h;

DOI:10.1007/BF00507001

Reference yield:

2-trifluoromethyl-5-cyano-6-aminopyrimidine (943-25-9) → 6-(2,6-Dichloro-phenyl)-2-trifluoromethyl-pyrido[2,3-d]pyrimidin-7-ylamine (76575-02-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, HCO₂H / Raney nickel / 3 h / 2585.7 Torr / Ambient temperature

2: 29 percent / NaOEt / ethanol / 0.5 h / 25 °C

With formic acid; hydrogen; sodium ethanolate; nickel; In ethanol;

DOI:10.1021/jm00136a006

Reference yield:

2-trifluoromethyl-5-cyano-6-aminopyrimidine (943-25-9) → 2-Trifluormethyl-4-amino-5-aminomethyl-pyrimidin (2822-73-3)

Guidance literature:

With methanol; ammonia; nickel; Hydrogenation;

DOI:10.1021/jo01084a012

upstream raw materials:

1-Chloro-2,2-dicyanoethylen

trifluoroacetamidine

Downstream raw materials:

2-Trifluormethyl-4-amino-5-aminomethyl-pyrimidin

4-amino-2-trifluoromethyl-pyrimidine-5-carboxylic acid amide

4-amino-2-trifluoromethylpyrimidine-5-carbaldehyde

6-(2,6-Dichloro-phenyl)-2-trifluoromethyl-pyrido[2,3-d]pyrimidin-7-ylamine