Ronidazole

Base Information

• Chemical Name: Ronidazole
• CAS No.: 7681-76-7
• Molecular Formula: C6H8N4O4
• Molecular Weight: 200.154
• Hs Code.: 29332900
• European Community (EC) Number: 231-675-1
• NSC Number: 757865
• UNII: E01R4M1063
• DSSTox Substance ID: DTXSID6045400
• Nikkaji Number: J2.265I
• Wikipedia: Ronidazole
• Wikidata: Q7365706
• NCI Thesaurus Code: C152248
• RXCUI: 1535498
• ChEMBL ID: CHEMBL290299
• Mol file: 7681-76-7.mol

Synonyms:Ridzol;Ronida;Ronidazol;Ronidazole

Chemical Property of Ronidazole

Chemical Property:

• Vapor Pressure: 3.21E-10mmHg at 25°C
• Melting Point: 167-169°
• Refractive Index: 1.651
• Boiling Point: 502.3 °C at 760 mmHg
• PKA: 1.2(at 25℃)
• Flash Point: 257.6 °C
• PSA: 115.96000
• Density: 1.65 g/cm³
• LogP: 1.14710
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 200.05455475
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Ronidazole ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]
• Uses: antibacterial

Technology Process of Ronidazole

There total 3 articles about Ronidazole 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:

(1-methyl-5-nitro-1H-imidazol-2-yl)methyl 4-nitrophenyl carbonate (263159-60-0) → ronidazole (7681-76-7)

Guidance literature:

With ammonium hydroxide; In dichloromethane; at 0 - 10 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b02097

Reference yield:

1-methyl-2-hydroxymethyl-5-nitroimidazole (936-05-0) → ronidazole (7681-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 20 °C / Inert atmosphere

2: ammonium hydroxide / dichloromethane / 3 h / 0 - 10 °C / Inert atmosphere

With ammonium hydroxide; triethylamine; In dichloromethane;

DOI:10.1021/acs.jmedchem.9b02097

Reference yield:

→ ronidazole (7681-76-7)

Guidance literature:

a) 4(5)-Nitroimidazol-2-ylmethyl-carbamat, CH2N2;

upstream raw materials:

(1-methyl-5-nitro-1H-imidazol-2-yl)methyl 4-nitrophenyl carbonate

1-methyl-2-hydroxymethyl-5-nitroimidazole

Downstream raw materials:

1-methyl-2-hydroxymethyl-5-nitroimidazole

Refernces

• 1、 -. "Process for formulating a synthetic drug for use in animal feed, and resulting formulation". . . Retrieved 2008/06/13.