6-(4-Chlorophenyl)pyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-(4-Chlorophenyl)pyrimidine-2,4-diamine
• CAS No.: 175137-09-4
• Molecular Formula: C₁₀H₉ClN₄
• Molecular Weight: 220.661
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30380564
• Wikidata: Q82170837
• Mol file: 175137-09-4.mol

Synonyms:6-(4-chlorophenyl)pyrimidine-2,4-diamine;175137-09-4;Maybridge1_004025;SCHEMBL7379292;HMS552O21;DTXSID30380564;5,5-DICHLOROBARBITURICACID;CCG-55392;MFCD00068134;AKOS009158733;SB58363;GK 01237;CS-0333856;FT-0620803;SR-01000644418-1;6-(4-chlorophenyl)pyrimidine-2,4-diamine, AldrichCPR;BRD-K69183264-001-01-6

Chemical Property of 6-(4-Chlorophenyl)pyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 6.41E-11mmHg at 25°C
• Melting Point: 158 °C
• Refractive Index: 1.691
• Boiling Point: 520.1 °C at 760 mmHg
• Flash Point: 268.4 °C
• PSA: 77.82000
• Density: 1.399 g/cm³
• LogP: 3.12380
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.0515740
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

6-(4-Chlorophenyl)pyrimidine-2,4-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=NC(=N2)N)N)Cl

Technology Process of 6-(4-Chlorophenyl)pyrimidine-2,4-diamine

There total 3 articles about 6-(4-Chlorophenyl)pyrimidine-2,4-diamine 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:

p-chlorobenzoylacetonitrile (4640-66-8) → 2,4-diamino-6-(4-chlorophenyl)pyrimidine (175137-09-4)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid; toluene

2: sodium ethylate; ethanol

With ethanol; sodium ethanolate; toluene-4-sulfonic acid; toluene;

DOI:10.1039/jr9530003518

Reference yield:

4-chloro-β-isobutoxy-cinnamonitrile + guanidine hydrochloride (50-01-1) → 2,4-diamino-6-(4-chlorophenyl)pyrimidine (175137-09-4)

Guidance literature:

With ethanol; sodium ethanolate;

DOI:10.1039/jr9530003518

Reference yield:

2-chloro-3-(4-chlorophenyl)acrylonitrile (90272-22-3) + diguanidine carbonate (593-85-1,90332-86-8,3425-08-9) → 2,4-diamino-6-(4-chlorophenyl)pyrimidine (175137-09-4)

Guidance literature:

In tert-butyl alcohol; Heating;

DOI:10.1007/s11172-005-0246-z

upstream raw materials:

guanidine hydrochloride

2-chloro-3-(4-chlorophenyl)acrylonitrile

diguanidine carbonate

p-chlorobenzoylacetonitrile