4-Amino-1-methyl-1h-imidazole-5-carboxamide

Base Information

• Chemical Name: 4-Amino-1-methyl-1h-imidazole-5-carboxamide
• CAS No.: 5413-89-8
• Molecular Formula: C5H8 N4 O
• Molecular Weight: 140.145
• Hs Code.: 2934999090
• NSC Number: 7858
• DSSTox Substance ID: DTXSID90278514
• Nikkaji Number: J841.382G
• Wikidata: Q82010441
• Mol file: 5413-89-8.mol

Synonyms:4-amino-1-methyl-1h-imidazole-5-carboxamide;5413-89-8;5-amino-3-methylimidazole-4-carboxamide;NSC7858;NSC 7858;SCHEMBL2202785;(S)-Modafinil-d10 Carboxylate;DTXSID90278514;NSC-7858;AKOS006338162;CS-0300792;FT-0661893;1-Methyl-4-amino-1H-imidazole-5-carboxamide;EN300-132310

Chemical Property of 4-Amino-1-methyl-1h-imidazole-5-carboxamide

Chemical Property:

• Vapor Pressure: 5.9E-08mmHg at 25°C
• Melting Point: 180-185°C (dec.)
• Boiling Point: 440.4°C at 760 mmHg
• Flash Point: 220.2°C
• PSA: 86.93000
• Density: 1.56g/cm³
• LogP: 0.38270
• Storage Temp.: Refrigerator
• Solubility.: DMSO
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.06981089
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

4-Amino-1-methyl-1H-imidazole-5-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=NC(=C1C(=O)N)N
• Uses: 4-AMino-1-Methyl-1H-iMidazole-5-carboxaMide belongs to a derivative of imidazole and it is used in the synthesis of heteroxanthine.

Technology Process of 4-Amino-1-methyl-1h-imidazole-5-carboxamide

There total 1 articles about 4-Amino-1-methyl-1h-imidazole-5-carboxamide 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-methyl-imidazol-2-phenyl-1,3,2-diazaborinane-4-on → 4-amino-1-methyl-1H-imidazole-5-carboxamide (5413-89-8) + phenylborondichloride (873-51-8)

Guidance literature:

In not given;

DOI:10.1021/ja01473a025

Reference yield:

4-amino-1-methyl-1H-imidazole-5-carboxamide (5413-89-8) + diethyl phenylboronate (31044-59-4) → 5-methyl-2-phenyl-1,2,3,5-tetrahydro-imidazo[4,5-d][1,3,2]diazaborinin-4-one (120907-73-5)

Guidance literature:

With ethanol;

DOI:10.1021/ja01532a053

Reference yield:

triphenylboroxine (3262-89-3) + 4-amino-1-methyl-1H-imidazole-5-carboxamide (5413-89-8) → 5-methyl-imidazol-2-phenyl-1,3,2-diazaborinane-4-on

Guidance literature:

In ethanol;

DOI:10.1021/ja01473a025

Downstream raw materials:

5-methyl-2-phenyl-1,2,3,5-tetrahydro-imidazo[4,5-d][1,3,2]diazaborinin-4-one