9-Benzyl-6-hydrazinyl-9h-purine

Base Information

• Chemical Name: 9-Benzyl-6-hydrazinyl-9h-purine
• CAS No.: 6268-73-1
• Molecular Formula: C12H12N6
• Molecular Weight: 240.267
• NSC Number: 36299
• DSSTox Substance ID: DTXSID00284242
• Wikidata: Q82019113
• Mol file: 6268-73-1.mol

Synonyms:6268-73-1;9-benzyl-6-hydrazinyl-9h-purine;NSC36299;9-benzyl-6-hydrazinopurine;DTXSID00284242;NSC-36299

Chemical Property of 9-Benzyl-6-hydrazinyl-9h-purine

Chemical Property:

• Vapor Pressure: 1.49E-11mmHg at 25°C
• Boiling Point: 535.7°Cat760mmHg
• Flash Point: 277.8°C
• Density: 1.44g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 240.11234441
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

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)NN

Technology Process of 9-Benzyl-6-hydrazinyl-9h-purine

There total 11 articles about 9-Benzyl-6-hydrazinyl-9h-purine 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: 81.0%

1-benzyl-4-cyano-5-<(methoxymethylene)amino>imidazole (111267-84-6) → 9-benzyl-6-hydrazino-9H-purine (6268-73-1)

Guidance literature:

With hydrazine hydrate; In methanol; for 12h; Ambient temperature;

DOI:10.1021/jo00237a028

Reference yield: 33.0%

9-Benzyl-6-imino-6,9-dihydro-purin-1-ylamine; hydrochloride → 9-benzyl-6-hydrazino-9H-purine (6268-73-1) + 3-(5-Amino-1-benzyl-1H-imidazol-4-yl)-[1,2,4]triazol-4-ylamine

Guidance literature:

With hydrazine hydrate; at 50 ℃; for 72h;

DOI:10.1002/jhet.5570330419

Reference yield:

N-amino-N-methyl-N'-(1-benzyl-4-cyanoimidazol-5-yl)-formamidine (111267-86-8) → 9-benzyl-6-hydrazino-9H-purine (6268-73-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 47 percent / trifluoroacetic acid / toluene; methanol / 72 h / Heating

2: 84 percent / trifluoroacetic acid / 4 h / Heating

3: 81 percent / hydrazine monohydrate / methanol / 12 h / Ambient temperature

With hydrazine hydrate; trifluoroacetic acid; In methanol; toluene;

DOI:10.1021/jo00237a028

upstream raw materials:

1-benzyl-4-cyano-5-<(methoxymethylene)amino>imidazole

N-amino-N-methyl-N'-(1-benzyl-4-cyanoimidazol-5-yl)-formamidine

benzylamine

5-amino-1-benzyl-1H-imidazole-4-carbonitrile

Downstream raw materials:

7-benzyl-7H-[1,2,4]triazolo[4,3-g]purine

9-benzyl-9H-purine

7-benzyl-1,2,3,4-tetrazolo[5,1-i]purine