5-(Trifluoromethyl)pyrimidin-2-amine

Base Information

• Chemical Name: 5-(Trifluoromethyl)pyrimidin-2-amine
• CAS No.: 69034-08-8
• Molecular Formula: C5H4F3N3
• Molecular Weight: 163.102
• Hs Code.: 2933599590
• European Community (EC) Number: 819-453-8
• DSSTox Substance ID: DTXSID70570846
• Nikkaji Number: J718.780G
• Wikidata: Q82458405
• Mol file: 69034-08-8.mol

Synonyms:5-(Trifluoromethyl)pyrimidin-2-amine;69034-08-8;5-TRIFLUOROMETHYL-PYRIMIDIN-2-YLAMINE;2-Amino-5-(trifluoromethyl)pyrimidine;2-Pyrimidinamine, 5-(trifluoromethyl)- (9CI);5-(trifluoromethyl)-2-pyrimidinamine;MFCD10696951;2-amino-5-trifluoromethylpyrimidine;5-TRIFLUOROMETHYLPYRIMIDIN-2-YLAMINE;2-PYRIMIDINAMINE, 5-(TRIFLUOROMETHYL)-;SCHEMBL1008590;DTXSID70570846;2-pyrimidinamine,5-(trifluoromethyl)-;AKOS006305321;AB58610;FS-3306;AM804232;SY022569;[5-(trifluoromethyl)-pyrimidin-2-yl]-amine;CS-0030460;EN300-94954;Z1198277063

Chemical Property of 5-(Trifluoromethyl)pyrimidin-2-amine

Chemical Property:

• Boiling Point: 260.7 °C at 760 mmHg
• Flash Point: 111.5 °C
• PSA: 51.80000
• Density: 1.46 g/cm³
• LogP: 1.65880
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 163.03573163
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

5-(Trifluoromethyl)pyrimidin-2-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(Trifluoromethyl)pyrimidin-2-amine

There total 4 articles about 5-(Trifluoromethyl)pyrimidin-2-amine 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: 80.0%

2-chloro-5-(trifluoromethyl)pyrimidine (69034-12-4) → 5-(trifluoromethyl)pyrimidin-2-amine (69034-08-8)

Guidance literature:

With ammonium hydroxide; In ethanol; at 100 ℃; for 24h;

DOI:10.1021/acs.jmedchem.1c00994

Reference yield: 70.0%

guanidine hydrochloride (50-01-1) + N-[3-(dimethylamino)-2-(trifluoromethyl)-2-propenylidene]-N-dimethylammonium chloride (176214-18-9) → 5-(trifluoromethyl)pyrimidin-2-amine (69034-08-8)

Guidance literature:

With sodium methylate; In methanol; dimethyl sulfoxide; for 3h; Ambient temperature;

DOI:10.1016/0040-4039(96)00129-3

Reference yield:

2-aminopyrimidine (109-12-6) + iodotrifluoromethane (2314-97-8,263005-66-9) → 5-(trifluoromethyl)pyrimidin-2-amine (69034-08-8)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; iron(II) sulfate; In water; dimethyl sulfoxide;

DOI:10.1016/j.jfluchem.2009.09.007

upstream raw materials:

guanidine hydrochloride

N-[3-(dimethylamino)-2-(trifluoromethyl)-2-propenylidene]-N-dimethylammonium chloride

2-amino-pyrimidine-5-carboxylic acid

2-aminopyrimidine

Downstream raw materials:

2-bromo-5-(trifluoromethyl)pyrimidine

((S)-4-morpholin-2-yl-phenyl)-(5-trifluoromethyl-pyrimidin-2-yl)-amine

(S)-2-[4-(5-trifluoromethyl-pyrimidin-2-ylamino)-phenyl]-morpholine-4-carboxylic acid tert-butyl ester

(RS)-2-[3-Fluoro-4-(5-trifluoromethyl-pyrimidin-2-ylamino)-phenyl]-morpholine-4-carboxylic acid tert-butyl ester