4-(4-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
• CAS No.: 519056-51-0
• Molecular Formula: C12H10F3N3O
• Molecular Weight: 269.226
• DSSTox Substance ID: DTXSID70384940
• Nikkaji Number: J2.575.877C
• ChEMBL ID: CHEMBL1606931
• Mol file: 519056-51-0.mol

Synonyms:4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine;519056-51-0;CHEMBL1606931;Maybridge1_005159;MLS000730287;HMS556C11;DTXSID70384940;HMS2775I12;BDBM50381869;CCG-27579;MFCD01566576;AKOS000271269;SMR000308563;EU-0090509;FT-0644778;A828841;J-513535;SR-01000636122-1;4-(4-Methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-amine

Chemical Property of 4-(4-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 1.39E-07mmHg at 25°C
• Melting Point: 191 °C
• Refractive Index: 1.538
• Boiling Point: 429.5ºC at 760 mmHg
• PKA: 1.39±0.10(Predicted)
• Flash Point: 213.6ºC
• PSA: 61.03000
• Density: 1.339g/cm3
• LogP: 3.33440
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 269.07759644
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-Methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=NC(=N2)N)C(F)(F)F

Technology Process of 4-(4-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

There total 5 articles about 4-(4-Methoxyphenyl)-6-(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: 82.0%

4,4,4-trifluoro-1-(4-methoxyphenyl)-1,3-butanedione (15191-68-1) → 2-amino-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine (519056-51-0)

Guidance literature:

With sodium methylate; In methanol; for 6h; Reflux;

DOI:10.3390/molecules21070828

Reference yield: 71.0%

guanidine hydrochloride (50-01-1) + 1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-one (89965-74-2) → 2-amino-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine (519056-51-0)

Guidance literature:

guanidine hydrochloride; With sodium methylate; In methanol; at 20 ℃;

1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-one; In methanol; Reflux;

DOI:10.1002/ejoc.201700727

Reference yield: 55.0%

guanidine hydrochloride (50-01-1) + 4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-yn-1-one (89965-73-1) → 2-amino-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine (519056-51-0)

Guidance literature:

With sodium carbonate; In acetonitrile; at 80 ℃; for 8h;

DOI:10.3762/BJOC.17.14

upstream raw materials:

4,4,4-trifluoro-1-(4-methoxyphenyl)-1,3-butanedione

1-(4-methoxyphenyl)ethanone

guanidine hydrochloride

1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-one

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