6-Chloro-n4-(3,4-dichlorobenzyl)pyrimidine-4,5-diamine

Base Information

• Chemical Name: 6-Chloro-n4-(3,4-dichlorobenzyl)pyrimidine-4,5-diamine
• CAS No.: 55544-63-3
• Molecular Formula: C₁₁H₉Cl₃N₄
• Molecular Weight: 303.578
• NSC Number: 34779
• DSSTox Substance ID: DTXSID20283999
• Wikidata: Q82018779
• Mol file: 55544-63-3.mol

Synonyms:55544-63-3;NSC34779;6-chloro-n4-(3,4-dichlorobenzyl)pyrimidine-4,5-diamine;DTXSID20283999;NSC-34779

Chemical Property of 6-Chloro-n4-(3,4-dichlorobenzyl)pyrimidine-4,5-diamine

Chemical Property:

• Vapor Pressure: 5.49E-09mmHg at 25°C
• Boiling Point: 469.5°C at 760 mmHg
• Flash Point: 237.7°C
• Density: 1.563g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 301.989279
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CNC2=C(C(=NC=N2)Cl)N)Cl)Cl

Technology Process of 6-Chloro-n4-(3,4-dichlorobenzyl)pyrimidine-4,5-diamine

There total 2 articles about 6-Chloro-n4-(3,4-dichlorobenzyl)pyrimidine-4,5-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: 23.0%

5-amino-4,6-dichloropyridimine (5413-85-4) + 3,4-dichlorobenzyl amine (102-49-8) → 6-chloro-N4-(3,4-dichloro-benzyl)-pyrimidine-4,5-diamine (55544-63-3)

Guidance literature:

With triethylamine; In butan-1-ol; for 21h; Heating;

DOI:10.1021/jm00398a019

Reference yield:

→ 6-chloro-N4-(3,4-dichloro-benzyl)-pyrimidine-4,5-diamine (55544-63-3)

Guidance literature:

/BRN= 15018/;

DOI:10.1021/jo01091a039

Reference yield: 57.0%

6-chloro-N4-(3,4-dichloro-benzyl)-pyrimidine-4,5-diamine (55544-63-3) + orthoformic acid triethyl ester (122-51-0) → 6-chloro-9-(3,4-dichlorophenylmethyl)-9H-purine (55544-80-4)

Guidance literature:

With ethanesulfonic acid; for 41h; Ambient temperature;

DOI:10.1021/jm00398a019

upstream raw materials:

5-amino-4,6-dichloropyridimine

3,4-dichlorobenzyl amine

Downstream raw materials:

6-chloro-9-(3,4-dichlorophenylmethyl)-9H-purine

[9-(3,4-Dichloro-benzyl)-9H-purin-6-yl]-dimethyl-amine