1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole

Base Information

• Chemical Name: 1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole
• CAS No.: 56894-29-2
• Molecular Formula: C7H10 Cl N3 O2
• Molecular Weight: 203.628
• European Community (EC) Number: 260-421-2
• DSSTox Substance ID: DTXSID20205419
• Nikkaji Number: J267.128J
• Wikidata: Q83078995
• Mol file: 56894-29-2.mol

Synonyms:56894-29-2;1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole;EINECS 260-421-2;1-(3-chloropropyl)-2-methyl-5-nitroimidazole;SCHEMBL11830546;DTXSID20205419;FT-0738683

Chemical Property of 1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Boiling Point: 381°C at 760 mmHg
• PKA: 2.71±0.34(Predicted)
• Flash Point: 184.2°C
• PSA: 63.64000
• Density: 1.39g/cm³
• LogP: 2.25180
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.0461543
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

1-(3-chloropropyl)-2-methyl-5-nitro-1H-Imidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CCCCl)[N+](=O)[O-]

Technology Process of 1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole

There total 2 articles about 1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole 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: 78.0%

2-methyl-5-nitro-1H-imidazole (696-23-1,88054-22-2) + 1.3-chlorobromopropane (109-70-6) → 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole (56894-29-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 4h;

DOI:10.1016/j.ejmech.2014.11.010

Reference yield:

→ 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole (56894-29-2)

Guidance literature:

2-Methyl-4-nitroimidazol + 3-Chlorpropyl-p-toluol-sulfonat;

Reference yield: 64.0%

1-(2-Methoxyphenyl)piperazine (35386-24-4) + 1-(3-chloropropyl)-2-methyl-5-nitro-1H-imidazole (56894-29-2) → C18H25N5O3 (1055194-13-2)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 30h;

DOI:10.1002/jhet.5570450453

upstream raw materials:

2-methyl-5-nitro-1H-imidazole

1.3-chlorobromopropane

Downstream raw materials:

C₁₇H₂₃N₅O₂

C₁₈H₂₅N₅O₃

C₁₇H₂₂ClN₅O₂

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