1H-Imidazole-2-carboxylicacid, 4-(acetylamino)-1-methyl-

Base Information

• Chemical Name: 1H-Imidazole-2-carboxylicacid, 4-(acetylamino)-1-methyl-
• CAS No.: 225667-16-3
• Molecular Formula: C₇H₉N₃O₃
• Molecular Weight: 183.167
• DSSTox Substance ID: DTXSID80462243
• Mol file: 225667-16-3.mol

Synonyms:225667-16-3;1H-Imidazole-2-carboxylicacid, 4-(acetylamino)-1-methyl-;4-ACETAMIDO-1-METHYLIMIDAZOLE-2-CARBOXYLIC ACID;DTXSID80462243;1H-Imidazole-2-carboxylic acid, 4-(acetylamino)-1-methyl-;EN300-4286013;4-Acetamido-1-methyl-1H-imidazole-2-carboxylic acid

Chemical Property of 1H-Imidazole-2-carboxylicacid, 4-(acetylamino)-1-methyl-

Chemical Property:

• PSA: 87.71000
• LogP: 0.72620
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.06439116
• Heavy Atom Count: 13
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CN(C(=N1)C(=O)O)C

Technology Process of 1H-Imidazole-2-carboxylicacid, 4-(acetylamino)-1-methyl-

There total 2 articles about 1H-Imidazole-2-carboxylicacid, 4-(acetylamino)-1-methyl- 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: 93.0%

4-acetylamino-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester (225667-13-0) → 4-Acetylamino-1-methyl-1H-imidazole-2-carboxylic acid (225667-16-3)

Guidance literature:

With sodium hydroxide; water; In methanol;

DOI:10.1002/(SICI)1521-3773(19990301)38:5<650::AID-ANIE650>3.0.CO;2-O

Reference yield:

ethyl 1-methyl-4-(pyrene-1-carboxamido)-1H-imidazole-2-carboxylate → 4-Acetylamino-1-methyl-1H-imidazole-2-carboxylic acid (225667-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / pyridine, (i-Pr)2NEt

2: 93 percent / NaOH, H₂O / methanol

With pyridine; sodium hydroxide; water; N-ethyl-N,N-diisopropylamine; In methanol;

DOI:10.1002/(SICI)1521-3773(19990301)38:5<650::AID-ANIE650>3.0.CO;2-O

upstream raw materials:

4-acetylamino-1-methyl-1H-imidazole-2-carboxylic acid ethyl ester