9-Benzyl-2-chloro-9h-purin-6-amine

Base Information

• Chemical Name: 9-Benzyl-2-chloro-9h-purin-6-amine
• CAS No.: 56046-25-4
• Molecular Formula: C12H10ClN5
• Molecular Weight: 259.698
• Hs Code.: 2933990090
• NSC Number: 124464
• DSSTox Substance ID: DTXSID80298589
• Wikidata: Q72440888
• Mol file: 56046-25-4.mol

Synonyms:9-benzyl-2-chloro-9h-purin-6-amine;56046-25-4;9-benzyl-2-chloropurin-6-amine;9-BENZYL-2-CHLORO-9H-PURIN-6-YLAMINE;6-amino-9-benzyl-2-chloropurine;NSC124464;9-Benzyl-2-chloroadenine;9-benzyl-2-chloro-9H-adenine;SCHEMBL2060472;DTXSID80298589;HMCPIAFQZBMKOP-UHFFFAOYSA-N;AKOS015994971;NSC-124464;FT-0688432;A846170;J-519493

Chemical Property of 9-Benzyl-2-chloro-9h-purin-6-amine

Chemical Property:

• Vapor Pressure: 1.26E-07mmHg at 25°C
• Melting Point: 228-229oC
• Boiling Point: 430.8°Cat760mmHg
• Flash Point: 214.4°C
• PSA: 69.62000
• Density: 1.51g/cm³
• LogP: 2.69140
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 259.0624730
• Heavy Atom Count: 18
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

9-Benzyl-2-chloro-9H-purin-6-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)N

Technology Process of 9-Benzyl-2-chloro-9h-purin-6-amine

There total 11 articles about 9-Benzyl-2-chloro-9h-purin-6-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: 97.0%

9-benzyl-2,6-dichloro-9H-purine (79064-26-9) → 6-amino-9-benzyl-2-chloropurine (56046-25-4)

Guidance literature:

With ammonia; In methanol; at 120 ℃; for 15h; under 10500.8 Torr; microwave irradiation;

DOI:10.1016/j.bmcl.2006.03.034

Reference yield: 94.0%

benzyl bromide (100-39-0) + 2-chloroadenine (1839-18-5) → 6-amino-9-benzyl-2-chloropurine (56046-25-4)

Guidance literature:

2-chloroadenine; With potassium carbonate; In dimethyl sulfoxide; for 0.0333333h;

benzyl bromide; In dimethyl sulfoxide; at 20 ℃; for 30h;

DOI:10.1016/j.tetlet.2014.11.126

Reference yield: 70.0%

benzyl chloride (100-44-7) + 2-chloroadenine (1839-18-5) → 6-amino-9-benzyl-2-chloropurine (56046-25-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

benzyl chloride

2-chloroadenine

9-benzyl-2,6-dichloro-9H-purine

9-benzyl-6-benzyloxy-9H-purine

Downstream raw materials:

9-benzyl-2-n-propylthio-9H-adenine

6-Amino-9-benzyl-2-(isopropylthio)purine

9-benzyl-2-benzylsulfanyl-9H-purin-6-ylamine

6-Amino-9-benzyl-2-ethylthiopurine