Methyl 5-amino-1H-imidazole-4-carboxylate

Base Information

• Chemical Name: Methyl 5-amino-1H-imidazole-4-carboxylate
• CAS No.: 4919-00-0
• Molecular Formula: C5H7 N3 O2
• Molecular Weight: 141.13
• Hs Code.: 2933290090
• European Community (EC) Number: 816-586-3
• NSC Number: 105531
• DSSTox Substance ID: DTXSID00295792
• Wikidata: Q82035953
• Mol file: 4919-00-0.mol

Synonyms:4919-00-0;Methyl 5-amino-1H-imidazole-4-carboxylate;methyl 4-amino-1h-imidazole-5-carboxylate;methyl 5-aminoimidazole-4-carboxylate;NSC105531;SCHEMBL5433655;SCHEMBL9708864;DTXSID00295792;DESDXDWZSJRLDB-UHFFFAOYSA-N;1H-IMIDAZOLE-4-CARBOXYLIC ACID, 5-AMINO-, METHYL ESTER;MFCD12756040;MFCD19204119;Methyl 4-amino-5-imidazolecarboxylate;AKOS006340687;AB66095;DS-4497;NSC-105531;Methyl5-amino-1H-imidazole-4-carboxylate;SY046689;CS-0043656;FT-0728094;Methyl 5-amino-1H-imidazole-4-carboxylate #;EN300-113775;4-Aminoimidazole-5-carboxylic acid, methyl ester;5-Aminoimidazole-4-carboxylic acid, methyl ester;A929266;1H-Imidazole-4-carboxylicacid,5-amino-,methylester(9CI);Z2009870618;5-AMINO-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER

Chemical Property of Methyl 5-amino-1H-imidazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 1.63E-06mmHg at 25°C
• Boiling Point: 397°Cat760mmHg
• Flash Point: 193.9°C
• PSA: 81.00000
• Density: 1.395g/cm³
• LogP: 0.35970
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 141.053826475
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

97% ^*data from raw suppliers

Methyl5-Amino-1H-imidazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(N=CN1)N

Technology Process of Methyl 5-amino-1H-imidazole-4-carboxylate

There total 2 articles about Methyl 5-amino-1H-imidazole-4-carboxylate 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: 96.0%

methyl 5-nitroimidazole-4-carboxylate (20271-20-9) → methyl 5-amino-1H-imidazole-4-carboxylate (4919-00-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; ethanol; for 4h;

Reference yield:

→ methyl 5-amino-1H-imidazole-4-carboxylate (4919-00-0)

Guidance literature:

With ethanol; palladium; Hydrogenation;

Reference yield: 20.0%

methyl 5-amino-1H-imidazole-4-carboxylate (4919-00-0) + 4-Chlorophenyl isothiocyanate (2131-55-7) → methyl 5-({[(4-chlorophenyl)amino]carbonothioyl}amino)-1H-imidazole-4-carboxylate (852854-25-2)

Guidance literature:

In pyridine; at 100 ℃; for 19h;

upstream raw materials:

methyl 5-nitroimidazole-4-carboxylate

Downstream raw materials:

methyl 5-({[(4-chlorophenyl)amino]carbonothioyl}amino)-1H-imidazole-4-carboxylate