1H-Imidazo[4,5-G]quinazolin-8-amine

Base Information

• Chemical Name: 1H-Imidazo[4,5-G]quinazolin-8-amine
• CAS No.: 53449-12-0
• Molecular Formula: C₉H₇N₅
• Molecular Weight: 185.188
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00549989
• Nikkaji Number: J31.855H
• Wikidata: Q82429196
• Mol file: 53449-12-0.mol

Synonyms:1H-IMIDAZO[4,5-G]QUINAZOLIN-8-AMINE;53449-12-0;SCHEMBL19571059;DTXSID00549989

Chemical Property of 1H-Imidazo[4,5-G]quinazolin-8-amine

Chemical Property:

• PSA: 81.21000
• LogP: 1.01840
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 185.07014524
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC3=C1NC=N3)N=CN=C2N

Technology Process of 1H-Imidazo[4,5-G]quinazolin-8-amine

There total 4 articles about 1H-Imidazo[4,5-G]quinazolin-8-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:

5,6-dimethyl-1H-benzo[d]imida-zole (582-60-5) → lin-benzoadenine (53449-12-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 48 percent / KMnO₄ / H₂O; 2-methyl-propan-2-ol / 70 °C

2: 93 percent / 3 h / 145 - 150 °C

With potassium permanganate; In water; tert-butyl alcohol;

DOI:10.1021/jo00389a055

Reference yield:

1-acetylbenzimidazole-5,6-dicarboxylic anhydride (108451-45-2) → lin-benzoadenine (53449-12-0)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jo00389a055

Reference yield:

1H-benzimidazole-5,6-dicarboxylic acid (10351-75-4) → lin-benzoadenine (53449-12-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / 3 h / 145 - 150 °C

DOI:10.1021/jo00389a055

upstream raw materials:

1-acetylbenzimidazole-5,6-dicarboxylic anhydride

5,6-dimethyl-1H-benzo[d]imida-zole

1H-benzimidazole-5,6-dicarboxylic acid

Downstream raw materials:

imidazo<4,5-g>quinazoline

4,9-dihydro-lin-benzoadenine

N-[7-Benzoyl-1-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-1,7-dihydro-imidazo[4,5-g]quinazolin-(8E)-ylidene]-benzamide

N-[7-Benzoyl-3-(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-3,7-dihydro-imidazo[4,5-g]quinazolin-(8E)-ylidene]-benzamide

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