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

Base Information

• Chemical Name: 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
• CAS No.: 76574-50-0
• Molecular Formula: C6H4 F3 N3 O
• Molecular Weight: 191.1106696
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00699195
• Wikidata: Q82630008
• Mol file: 76574-50-0.mol

Synonyms:76574-50-0;4-AMINO-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBALDEHYDE;SCHEMBL18187558;DTXSID00699195;CCUCOUJCNASVHL-UHFFFAOYSA-N;AB76558

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

Chemical Property:

• PSA: 69.60000
• LogP: 0.82020
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 191.03064625
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

99% ^*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=O

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

There total 1 articles about 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbaldehyde 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-trifluoromethyl-5-cyano-6-aminopyrimidine (943-25-9) → 4-amino-2-trifluoromethylpyrimidine-5-carbaldehyde (76574-50-0)

Guidance literature:

With formic acid; hydrogen; nickel; for 3h; under 2585.7 Torr; Ambient temperature;

DOI:10.1021/jm00136a006

Reference yield: 29.0%

2,6-dichlorophenylacetonitrile (3215-64-3) + 4-amino-2-trifluoromethylpyrimidine-5-carbaldehyde (76574-50-0) → 6-(2,6-Dichloro-phenyl)-2-trifluoromethyl-pyrido[2,3-d]pyrimidin-7-ylamine (76575-02-5)

Guidance literature:

With sodium ethanolate; In ethanol; at 25 ℃; for 0.5h;

DOI:10.1021/jm00136a006

upstream raw materials:

2-trifluoromethyl-5-cyano-6-aminopyrimidine

Downstream raw materials:

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