9-(2-nitrobenzyl)-9H-purin-6-amine

Base Information

• Chemical Name: 9-(2-nitrobenzyl)-9H-purin-6-amine
• CAS No.: 10549-96-9
• Molecular Formula: C12H10N6O2
• Molecular Weight: 270.24700
• DSSTox Substance ID: DTXSID00495770
• Nikkaji Number: J851.782G
• Wikidata: Q82344091
• Mol file: 10549-96-9.mol

Synonyms:9-(2-nitrobenzyl)-9H-purin-6-amine;10549-96-9;9-[(2-Nitrophenyl)methyl]-9H-purin-6-amine;9-(2-nitrobenzyl)adenine;SCHEMBL11814352;DTXSID00495770;AKOS015904931;[9-[(2-nitrophenyl)-methyl]-9H-purin-6-yl]-amine

Chemical Property of 9-(2-nitrobenzyl)-9H-purin-6-amine

Chemical Property:

• PSA: 115.44000
• LogP: 2.46940
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 270.08652358
• Heavy Atom Count: 20
• Complexity: 362

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(=C1)CN2C=NC3=C(N=CN=C32)N)[N+](=O)[O-]

Technology Process of 9-(2-nitrobenzyl)-9H-purin-6-amine

There total 2 articles about 9-(2-nitrobenzyl)-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: 85.0%

adenine (66224-66-6,66224-67-7,66224-68-8,66224-69-9,134434-48-3,134434-49-4,134454-76-5,134461-75-9) + 2-nitrophenylmethyl bromide (3958-60-9) → 9-(2-nitrobenzyl)-9H-purin-6-ylamine (10549-96-9)

Guidance literature:

adenine; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 3h; Inert atmosphere;

2-nitrophenylmethyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 72h; Inert atmosphere;

DOI:10.1016/j.ejmech.2010.09.022

Reference yield:

→ 9-(2-nitrobenzyl)-9H-purin-6-ylamine (10549-96-9)

Guidance literature:

aus Adenin, NaH und o-Nitrobenzylchlorid;

DOI:10.1055/s-1977-24551

Reference yield: 99.0%

9-(2-nitrobenzyl)-9H-purin-6-ylamine (10549-96-9) → 8-bromo-9-(2-nitrobenzyl)-9H-purin-6-ylamine (1261602-06-5)

Guidance literature:

With bromine; sodium acetate; acetic acid; at 70 ℃; for 12h;

DOI:10.1016/j.ejmech.2010.09.022

upstream raw materials:

adenine

2-nitrophenylmethyl bromide

Downstream raw materials:

9-(2-nitrobenzyl)-9H-purin-6-ol

8-bromo-9-(2-nitrobenzyl)-9H-purin-6-ylamine

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