4-amino-1H-imidazol-3-ium-5-carboxamide;chloride

Base Information

• Chemical Name: 4-amino-1H-imidazol-3-ium-5-carboxamide;chloride
• CAS No.: 72-40-2
• Molecular Formula: C4H7ClN4O
• Molecular Weight: 162.579
• Hs Code.: 29332990
• Mol file: 72-40-2.mol

Synonyms:

Chemical Property of 4-amino-1H-imidazol-3-ium-5-carboxamide;chloride

Chemical Property:

• Appearance/Colour: very slightly beige fine powder
• Vapor Pressure: 5.33E-11mmHg at 25°C
• Melting Point: 250-252 °C (dec.)(lit.)
• Boiling Point: 522.1 °C at 760 mmHg
• Flash Point: 269.6 °C
• PSA: 97.79000
• LogP: 1.17430
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: water: soluble50mg/mL, clear, light yellow
• Water Solubility.: SOLUBLE
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.0308386
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

5-Aminoimidazole-4-carboxamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=[NH+]C(=C(N1)C(=O)N)N.[Cl-]
• Uses: 5-Amino-4-imidazolecarboxamide hydrochloride was used in the synthesis of heterocyclic compounds such as guanine, purines and pyrimidines.

Technology Process of 4-amino-1H-imidazol-3-ium-5-carboxamide;chloride

There total 4 articles about 4-amino-1H-imidazol-3-ium-5-carboxamide;chloride 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%

5-Aminoimidazole-4-carboxamide (360-97-4) → 5-amino-1H-imidazole-4-carboxamide monohydrochloride (72-40-2)

Guidance literature:

With hydrogenchloride; In methanol; water; at 68 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.oprd.1c00013

Reference yield:

5-Aminoimidazole-4-carboxamide (360-97-4) → 5-amino-1H-imidazole-4-carboxamide monohydrochloride (72-40-2) + 5-diazoimidazole-4-carboxamide (7008-85-7)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water;

Reference yield:

→ 5-amino-1H-imidazole-4-carboxamide monohydrochloride (72-40-2)

Guidance literature:

DOI:10.1246/bcsj.41.241

upstream raw materials:

5-Aminoimidazole-4-carboxamide

Downstream raw materials:

5-Acetamidoimidazole-4-carboxamide

5-amino-1-<<2-(acetyloxy)ethoxy>methyl>-1H-imidazole-4-carboxamide

1,9-dihydro-2-(trifluoromethyl)-6H-purin-6-one

5-(p-Nitrobenzamido)imidazole-4-carboxamide

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF TETRAZINE DERIVATIVES". . . Retrieved 2011/10/10.