Agn-PC-00aipw

Base Information

• Chemical Name: Agn-PC-00aipw
• CAS No.: 884330-18-1
• Molecular Formula: C19H22N4O
• Molecular Weight: 322.41
• DSSTox Substance ID: DTXSID50467785
• Wikidata: Q82294853
• Mol file: 884330-18-1.mol

Synonyms:AGN-PC-00AIPW;884330-18-1;SCHEMBL8268465;DTXSID50467785

Chemical Property of Agn-PC-00aipw

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 322.17936134
• Heavy Atom Count: 24
• Complexity: 430

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC2=C(N1)C=C(C=C2C)C(=O)NC3=CC=CC=C3NC

Technology Process of Agn-PC-00aipw

There total 2 articles about Agn-PC-00aipw 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: 84.0%

N1-methylbenzene-1,2-diamine hydrochloride (81684-80-2) + 4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid (152628-03-0) → desmethyl dibenzimidazole (884330-09-0) + 7-methyl-2-propyl-3H-benzoimidazole-5-carboxylic acid(2-methylaminophenyl)amide (884330-18-1) + 3-amino-4-butyrylamino-5-methyl-N-(2-methylaminophenyl)benzamide (884330-17-0) + 2-n-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazole (152628-02-9)

Guidance literature:

With polyphosphoric acid; at 150 - 155 ℃;

DOI:10.1021/op060200g

Reference yield:

N-methyl-1,2-phenylenediamine (4760-34-3) + 4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid (152628-03-0) → 7-methyl-2-propyl-3H-benzoimidazole-5-carboxylic acid(2-methylaminophenyl)amide (884330-18-1)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; Heating / reflux;

Reference yield:

7-methyl-2-propyl-3H-benzoimidazole-5-carboxylic acid(2-methylaminophenyl)amide (884330-18-1) → 2-n-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazole (152628-02-9)

Guidance literature:

7-methyl-2-propyl-3H-benzoimidazole-5-carboxylic acid(2-methylaminophenyl)amide; With PPA; at 150 - 155 ℃;

With sodium hydroxide; In water; at 70 - 80 ℃; for 0.5 - 0.75h; pH=5 - 6; Product distribution / selectivity;

upstream raw materials:

N-methyl-1,2-phenylenediamine

4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid

N¹-methylbenzene-1,2-diamine hydrochloride

Downstream raw materials:

2-n-propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)benzimidazole