2-Amino-5-phenylpyrimidine-4,6-diol

Base Information

• Chemical Name: 2-Amino-5-phenylpyrimidine-4,6-diol
• CAS No.: 154146-07-3
• Molecular Formula: C10H9N3O2
• Molecular Weight: 203.2
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50382944
• Wikidata: Q82174434
• Mol file: 154146-07-3.mol

Synonyms:2-amino-5-phenylpyrimidine-4,6-diol;154146-07-3;2-AMINO-5-PHENYL-4,6-PYRIMIDINEDIOL;2-amino-4-hydroxy-5-phenyl-1H-pyrimidin-6-one;Oprea1_458353;SCHEMBL12496375;DTXSID50382944;CHEMBRDG-BB 5157250;MFCD00748802;AKOS003096534;AKOS009143598;SB59369;TS-00350;CS-0242740;VU0609615-1;EN300-254522;F81593;2-Amino-5-phenyl-4,6-pyrimidinediol, AldrichCPR;F3304-0013;Z276114160

Chemical Property of 2-Amino-5-phenylpyrimidine-4,6-diol

Chemical Property:

• Vapor Pressure: 2.27E-10mmHg at 25°C
• Boiling Point: 493.7°C at 760 mmHg
• Flash Point: 252.4°C
• PSA: 92.26000
• Density: 1.47g/cm³
• LogP: 1.71820
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 203.069476538
• Heavy Atom Count: 15
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5-phenylpyrimidine-4,6-diol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N=C(NC2=O)N)O

Technology Process of 2-Amino-5-phenylpyrimidine-4,6-diol

There total 2 articles about 2-Amino-5-phenylpyrimidine-4,6-diol 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: 94.0%

guanidine hydrochloride (50-01-1) + diethyl 2-phenylmalonate (83-13-6) → 2-amino-5-phenylpyrimidine-4,6-diol (154146-07-3)

Guidance literature:

guanidine hydrochloride; diethyl 2-phenylmalonate; With sodium; In ethanol; at 20 ℃; for 4h; Inert atmosphere;

In ethanol; for 1h; Inert atmosphere; Reflux;

DOI:10.1007/s00044-014-1018-9

Reference yield: 94.0%

→ 2-amino-5-phenylpyrimidine-4,6-diol (154146-07-3)

Guidance literature:

Reference yield:

2-amino-5-phenylpyrimidine-4,6-diol (154146-07-3) + Vilsmeier reagent (3724-43-4,149409-22-3) → 4,6-dichloro-2-{[(dimethylamino)methylene]amino}-5-phenylpyrimidine (1395343-07-3)

Guidance literature:

In chloroform; for 4h; Inert atmosphere; Reflux;

DOI:10.1007/s00044-014-1018-9

upstream raw materials:

guanidine hydrochloride

diethyl 2-phenylmalonate

Downstream raw materials:

4,6-dichloro-5-phenylpyrimidin-2-amine

4,6-dichloro-2-{[(dimethylamino)methylene]amino}-5-phenylpyrimidine