9H-Purin-6-amine, 9-((3,4-dichlorophenyl)methyl)-N,N-dimethyl-

Base Information

• Chemical Name: 9H-Purin-6-amine, 9-((3,4-dichlorophenyl)methyl)-N,N-dimethyl-
• CAS No.: 112089-16-4
• Molecular Formula: C₁₄H₁₃Cl₂N₅
• Molecular Weight: 322.197
• DSSTox Substance ID: DTXSID70149874
• Wikidata: Q83015747
• ChEMBL ID: CHEMBL434406
• Mol file: 112089-16-4.mol

Synonyms:112089-16-4;9H-Purin-6-amine, 9-((3,4-dichlorophenyl)methyl)-N,N-dimethyl-;9-(3,4-Dichlorobenzyl)-N,N-dimethyl-9H-purin-6-amine;9H-Purin-6-amine, 9-[(3,4-dichlorophenyl)methyl]-N,N-dimethyl-;CHEMBL434406;DTXSID70149874;9-[(3,4-dichlorophenyl)methyl]-N,N-dimethyl-purin-6-amine;9-[(3,4-DICHLOROPHENYL)METHYL]-N,N-DIMETHYL-9H-PURIN-6-AMINE

Chemical Property of 9H-Purin-6-amine, 9-((3,4-dichlorophenyl)methyl)-N,N-dimethyl-

Chemical Property:

• Vapor Pressure: 2.36E-10mmHg at 25°C
• Boiling Point: 505.8°C at 760 mmHg
• Flash Point: 259.7°C
• Density: 1.43g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 321.0548008
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC=NC2=C1N=CN2CC3=CC(=C(C=C3)Cl)Cl

Technology Process of 9H-Purin-6-amine, 9-((3,4-dichlorophenyl)methyl)-N,N-dimethyl-

There total 3 articles about 9H-Purin-6-amine, 9-((3,4-dichlorophenyl)methyl)-N,N-dimethyl- 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: 68.0%

6-chloro-9-(3,4-dichlorophenylmethyl)-9H-purine (55544-80-4) + dimethyl amine (124-40-3) → [9-(3,4-Dichloro-benzyl)-9H-purin-6-yl]-dimethyl-amine (112089-16-4)

Guidance literature:

In ethanol; for 15h; Ambient temperature;

DOI:10.1021/jm00398a019

Reference yield:

6-chloro-N4-(3,4-dichloro-benzyl)-pyrimidine-4,5-diamine (55544-63-3) → [9-(3,4-Dichloro-benzyl)-9H-purin-6-yl]-dimethyl-amine (112089-16-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / ethanesulfonic acid / 41 h / Ambient temperature

2: 68 percent / ethanol / 15 h / Ambient temperature

With ethanesulfonic acid; In ethanol;

DOI:10.1021/jm00398a019

Reference yield:

3,4-dichlorobenzyl amine (102-49-8) → [9-(3,4-Dichloro-benzyl)-9H-purin-6-yl]-dimethyl-amine (112089-16-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 23 percent / triethylamine / butan-1-ol / 21 h / Heating

2: 57 percent / ethanesulfonic acid / 41 h / Ambient temperature

3: 68 percent / ethanol / 15 h / Ambient temperature

With ethanesulfonic acid; triethylamine; In ethanol; butan-1-ol;

DOI:10.1021/jm00398a019

upstream raw materials:

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

dimethyl amine

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

3,4-dichlorobenzyl amine