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

Base Information

• Chemical Name: 4,6-Dichloro-2-phenylpyrimidin-5-amine
• CAS No.: 20959-02-8
• Molecular Formula: C10H7Cl2N3
• Molecular Weight: 240.092
• Hs Code.: 2933599090
• European Community (EC) Number: 820-107-3
• DSSTox Substance ID: DTXSID00353083
• Wikidata: Q82130534
• ChEMBL ID: CHEMBL1581179
• Mol file: 20959-02-8.mol

Synonyms:4,6-dichloro-2-phenylpyrimidin-5-amine;20959-02-8;5-Amino-4,6-dichloro-2-phenylpyrimidine;MLS001004608;SCHEMBL4663325;CHEMBL1581179;DTXSID00353083;WYMSKTBVPZTMHU-UHFFFAOYSA-N;HMS1754L16;MFCD00520251;AKOS002528566;SB58029;4,6-dichloro-2-phenyl-5-pyrimidinamine;SMR000348174;5-Pyrimidinamine, 4,6-dichloro-2-phenyl-;CS-0449457;EN300-07320

Chemical Property of 4,6-Dichloro-2-phenylpyrimidin-5-amine

Chemical Property:

• Vapor Pressure: 0.0133mmHg at 25°C
• Melting Point: 139-141.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 258.9oC at 760 mmHg
• PKA: -3.40±0.39(Predicted)
• Flash Point: 110.4oC
• PSA: 51.80000
• Density: 1.434g/cm3
• LogP: 3.61380
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.0017026
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

4,6-Dichloro-2-phenylpyrimidin-5-amine 97% ^*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=NC(=C(C(=N2)Cl)N)Cl

Technology Process of 4,6-Dichloro-2-phenylpyrimidin-5-amine

There total 3 articles about 4,6-Dichloro-2-phenylpyrimidin-5-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: 89.0%

2-Phenyl-5-nitro-4,6-dichloro-pyrimidine (68921-91-5) → 5-amino-4,6-dichloro-2-phenylpyrimidine (20959-02-8)

Guidance literature:

With iron; acetic acid; In tetrahydrofuran; for 1.5h; Heating;

DOI:10.1016/S0014-827X(02)01200-4

Reference yield:

2-bromo-4,6-dichloro-5-pyrimidinamine + phenylboronic acid (98-80-6) → 5-amino-4,6-dichloro-2-phenylpyrimidine (20959-02-8)

Guidance literature:

With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 100 ℃; for 24h;

Reference yield:

→ 5-amino-4,6-dichloro-2-phenylpyrimidine (20959-02-8)

Guidance literature:

Isocyanat (IIb) d.Hydrolyse;

DOI:10.1007/BF00471919

upstream raw materials:

2-Phenyl-5-nitro-4,6-dichloro-pyrimidine

phenylboronic acid

Downstream raw materials:

6-chloro-N⁴-cyclohexyl-2-phenyl-pyrimidine-4,5-diamine

6-chloro-2-phenylpyrimidine-4,5-diamine

5-amino-6-chloro-4-(2-hydroxy-1-propyl)amino-2-phenylpyrimidine

N⁴-benzyl-6-chloro-2-phenyl-pyrimidine-4,5-diamine