4-N-butyl-6-chloropyrimidine-2,4,5-triamine

Base Information

• Chemical Name: 4-N-butyl-6-chloropyrimidine-2,4,5-triamine
• CAS No.: 6270-25-3
• Molecular Formula: C₈H₁₄ClN₅
• Molecular Weight: 215.686
• NSC Number: 34042
• DSSTox Substance ID: DTXSID90978320
• Wikidata: Q82963668
• Mol file: 6270-25-3.mol

Synonyms:6270-25-3;NSC34042;SCHEMBL8695685;DTXSID90978320;NSC-34042;4-(Butylimino)-6-chloro-2-imino-1,2,3,4-tetrahydropyrimidin-5-amine

Chemical Property of 4-N-butyl-6-chloropyrimidine-2,4,5-triamine

Chemical Property:

• Vapor Pressure: 3.2E-08mmHg at 25°C
• Boiling Point: 448°C at 760 mmHg
• Flash Point: 224.8°C
• Density: 1.336g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 215.0937732
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC1=C(C(=NC(=N1)N)Cl)N

Technology Process of 4-N-butyl-6-chloropyrimidine-2,4,5-triamine

There total 4 articles about 4-N-butyl-6-chloropyrimidine-2,4,5-triamine 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:

2,5-diamino-4,6-dichloropyrimidine (55583-59-0) → 4-Chlor-2,5-diamino-6-butylamino-pyrimidin (6270-25-3)

Guidance literature:

With N-butylamine; triethylamine; In di-isopropyl ether; water; butan-1-ol;

Reference yield:

N4-butyl-6-chloro-5-(4-chloro-phenylazo)-pyrimidine-2,4-diamine (92298-20-9) → 4-Chlor-2,5-diamino-6-butylamino-pyrimidin (6270-25-3)

Guidance literature:

With acetic acid; zinc; In ethanol; water; at 60 ℃;

DOI:10.1021/jm00047a014

Reference yield:

2-Amino-4-n-butylamino-6-chloropyrimidine (5457-91-0) → 4-Chlor-2,5-diamino-6-butylamino-pyrimidin (6270-25-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate / acetic acid; H₂O

2: Zn, CH₃COOH / ethanol; H₂O / 60 °C

With sodium acetate; acetic acid; zinc; In ethanol; water; acetic acid;

DOI:10.1021/jm00047a014

upstream raw materials:

N⁴-butyl-6-chloro-5-(4-chloro-phenylazo)-pyrimidine-2,4-diamine

2-Amino-4-n-butylamino-6-chloropyrimidine

2,5-diamino-4,6-dichloropyrimidine