5-(4-Chlorophenyl)pyrimidin-4-amine

Base Information

• Chemical Name: 5-(4-Chlorophenyl)pyrimidin-4-amine
• CAS No.: 35202-25-6
• Molecular Formula: C10H8 Cl N3
• Molecular Weight: 205.647
• Hs Code.: 2933599090
• European Community (EC) Number: 890-311-5
• DSSTox Substance ID: DTXSID901294522
• ChEMBL ID: CHEMBL1497059
• Mol file: 35202-25-6.mol

Synonyms:5-(4-chlorophenyl)pyrimidin-4-amine;35202-25-6;5-(4-Chlorophenyl)pyrimidine-4-amine;352002-25-6;4-Amino-5-(4-chlorophenyl)pyrimidine;Maybridge3_001571;Oprea1_548818;MLS001111240;SCHEMBL2424040;CHEMBL1497059;DTXSID901294522;HMS1435H09;HMS2777K15;BBL028450;CCG-44783;MFCD00238992;STL243204;5-(4-Chlorophenyl)-4-pyrimidinamine;AKOS009158897;PS-6023;SB57970;IDI1_012958;SMR000458000;CS-0106619;FT-0619648;EN300-65465;D76656;5-(4-chlorophenyl)pyrimidin-4-amine, AldrichCPR;SR-01000634599-1;F2113-0339;Z1020823294

Chemical Property of 5-(4-Chlorophenyl)pyrimidin-4-amine

Chemical Property:

• Vapor Pressure: 7.88E-06mmHg at 25°C
• Melting Point: 195-197°C
• Refractive Index: 1.642
• Boiling Point: 375.3ºC at 760 mmHg
• PKA: 4.94±0.10(Predicted)
• Flash Point: 180.8ºC
• PSA: 51.80000
• Density: 1.323g/cm3
• LogP: 2.96040
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.0406750
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Chlorophenyl)pyrimidin-4-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CN=CN=C2N)Cl

Technology Process of 5-(4-Chlorophenyl)pyrimidin-4-amine

There total 4 articles about 5-(4-Chlorophenyl)pyrimidin-4-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:

4-aminobenzyl cyanide hydrochloride (3457-99-6) → (5–(4-chlorophenyl)pyrimidin-4-amine) (35202-25-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrochloric acid; aqueous sodium nitrite solution / Eintragen des erhaltenen Diazoniumsalz-Loesung in eim Gemisch von Kupfer(I)-chlorid und wss. Salzsaeure

2: 180 °C / Einleiten von Ammoniak

With hydrogenchloride; sodium nitrite;

DOI:10.1039/jr9450000352

Reference yield:

3-amino-2-(4-chloro-phenyl)-acrylonitrile + formamide (77287-34-4,77287-35-5,60100-09-6) → (5–(4-chlorophenyl)pyrimidin-4-amine) (35202-25-6)

Guidance literature:

at 180 ℃; Erhitzen im NH₃-Strom;

DOI:10.1039/jr9450000352

Reference yield:

formamide (77287-34-4,77287-35-5,60100-09-6) + p-chlorobenzyl cyanide (140-53-4) → (5–(4-chlorophenyl)pyrimidin-4-amine) (35202-25-6)

Guidance literature:

at 180 ℃; Erhitzen im NH₃-Strom;

DOI:10.1039/jr9450000352

upstream raw materials:

formamide

p-chlorobenzyl cyanide

4-aminobenzyl cyanide hydrochloride

Downstream raw materials:

N-[5-(4-chlorophenyl)pyrimidin-4-yl]-2-(trifluoromethyl)benzamide