1-(2-Hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole

Base Information

• Chemical Name: 1-(2-Hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole
• CAS No.: 71006-78-5
• Molecular Formula: C₈H₁₃N₃O₄
• Molecular Weight: 215.209
• NSC Number: 330805
• DSSTox Substance ID: DTXSID20875757
• Nikkaji Number: J698.131C

Synonyms:1-(2-hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole;1-HMPMNI

Chemical Property of 1-(2-Hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole

Chemical Property:

• Vapor Pressure: 1.26E-08mmHg at 25°C
• Boiling Point: 443°Cat760mmHg
• Flash Point: 221.7°C
• Density: 1.38g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 215.09060590
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CN1CC(COC)O)[N+](=O)[O-]

Technology Process of 1-(2-Hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole

There total 6 articles about 1-(2-Hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole 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:

6,7-dihydro-2,11-dimethyldipyrido<1,2-a:2',1'-c>pyrazinediium dibromide (4150-51-0) + C8H13N3O4(1-) → C14H16N2(1+) (16651-71-1) + 1-(2-hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole (71006-78-5)

Guidance literature:

In water; Equilibrium constant;

DOI:10.1039/f19848002693

Reference yield:

C8H13N3O4(1-) + 6,7,8,9-tetrahydro-2,13-dimethyldipyrido<1,2-a:2',1'-c><1,4>diazocinediium dibromide (73852-95-6) → C16H20N2(1+) (16651-76-6) + 1-(2-hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole (71006-78-5)

Guidance literature:

In water; Equilibrium constant;

DOI:10.1039/f19848002693

Reference yield:

C8H13N3O4(1-) + 6,7-dihydro-2,3,10,11-tetramethyldipyrido<1,2-a:2'.1'-c>pyrazinediium dibromide (94887-37-3) → C16H20N2(1+) (130304-97-1) + 1-(2-hydroxy-3-methoxypropyl)-2-methyl-4-nitroimidazole (71006-78-5)

Guidance literature:

In water; Equilibrium constant;

DOI:10.1039/f19848002693

upstream raw materials:

6,7-dihydro-2,11-dimethyldipyrido<1,2-a:2',1'-c>pyrazinediium dibromide

6,7,8,9-tetrahydro-2,13-dimethyldipyrido<1,2-a:2',1'-c><1,4>diazocinediium dibromide

6,7-dihydro-2,3,10,11-tetramethyldipyrido<1,2-a:2'.1'-c>pyrazinediium dibromide

7,8-dihydro-2,3,11,12-tetramethyl-6H-dipyrido<1,2-a:2',1'-c><1,4>diazepinediium dibromide

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