5-Phenylpyrimidin-2-amine

Base Information

• Chemical Name: 5-Phenylpyrimidin-2-amine
• CAS No.: 31408-23-8
• Molecular Formula: C10H9N3
• Molecular Weight: 171.202
• Hs Code.: 2933599090
• European Community (EC) Number: 840-315-8
• DSSTox Substance ID: DTXSID60492447
• Nikkaji Number: J2.015.372E
• Wikidata: Q82338360
• Mol file: 31408-23-8.mol

Synonyms:5-PHENYLPYRIMIDIN-2-AMINE;31408-23-8;2-Pyrimidinamine, 5-phenyl- (9CI);2-AMINO-5-PHENYLPYRIMIDINE;2-Pyrimidinamine,5-phenyl-;SCHEMBL398019;5-phenyl- Pyrimidin -2-amine;DTXSID60492447;MFCD01646362;AKOS003607036;AB09623;AS-76746;CS-0160722;D94979;EN300-195327;Z1013761006

Chemical Property of 5-Phenylpyrimidin-2-amine

Chemical Property:

• PSA: 52.53000
• LogP: 1.65590
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.079647300
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

5-phenylpyrimidin-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(N=C2)N

Technology Process of 5-Phenylpyrimidin-2-amine

There total 15 articles about 5-Phenylpyrimidin-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: 95.0%

5-bromo-2-aminopyrimidine (7752-82-1) + phenylboronic acid (98-80-6) → 5-phenyl-pyrimidin-2-ylamine (31408-23-8)

Guidance literature:

With potassium phosphate tribasic heptahydrate; palladium diacetate; In ethylene glycol; at 80 ℃; for 2h;

DOI:10.1002/ejoc.201000962

Reference yield: 90.0%

2-amino-5-iodopyrimidine (1445-39-2) + phenylboronic acid (98-80-6) → 5-phenyl-pyrimidin-2-ylamine (31408-23-8)

Guidance literature:

With potassium phosphate; palladium diacetate; In ethylene glycol; at 80 ℃; for 2h;

DOI:10.1016/j.tet.2018.06.033

Reference yield: 86.0%

→ 5-phenyl-pyrimidin-2-ylamine (31408-23-8)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,2-dimethoxyethane; water; Reflux;

upstream raw materials:

methoxy-3 phenyl-2 propenal

guanidine nitrate

hydroxymethylenephenylacetaldehyde

5-bromo-2-aminopyrimidine

Downstream raw materials:

C₁₀H₇N₅O₄

2-amino-5-phenyl-1,4,5,6-tetrahydropyrimidine

trans-3-oxo-N-(5-phenylpyrimidin-2-yl)-3H-spiro[6-aza-2-benzofuran-1,1'-cyclohexane]-4'-carboxamide

trans-3-oxo-N-(5-phenylpyrimidin-2-yl)-3H-spiro[4-aza-2-benzofuran-1,1'-cyclohexane]-4'-carboxamide