1,5-Dimethylimidazole

Base Information

• Chemical Name: 1,5-Dimethylimidazole
• CAS No.: 10447-93-5
• Molecular Formula: C5H8 N2
• Molecular Weight: 96.1319
• European Community (EC) Number: 818-738-4
• UNII: RR911G5X4F
• DSSTox Substance ID: DTXSID00146497
• Nikkaji Number: J432.984H
• Wikidata: Q27288256
• Mol file: 10447-93-5.mol

Synonyms:1,5-Dimethyl-1H-imidazole;1,5-Dimethylimidazole;10447-93-5;UNII-RR911G5X4F;RR911G5X4F;1H-Imidazole, 1,5-dimethyl-;1,5-dimethyl imidazole;1,5-Dimethyl-1H-imidazole #;DTXSID00146497;MFCD02661128;STL584874;AKOS027322713;LS-78499;EN300-108774;Q27288256

Chemical Property of 1,5-Dimethylimidazole

Chemical Property:

• Vapor Pressure: 0.163mmHg at 25°C
• Boiling Point: 221°Cat760mmHg
• Flash Point: 84.8°C
• Density: 0.98g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.068748264
• Heavy Atom Count: 7
• Complexity: 63.1

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=CN1C

Technology Process of 1,5-Dimethylimidazole

There total 4 articles about 1,5-Dimethylimidazole 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:

1,5-dimethyl-1H-pyrazole (694-31-5) → 1,2-dimethylimidazole (10447-93-5) + 1,2-dimethyl-1H-imidazole (1739-84-0) + (E)-3-methyl-3-(N-methylamino)propenenitrile (60375-51-1) + (E)-2-methyl-2-(N-methylamino)ethenyl isocyanide

Guidance literature:

In acetonitrile; for 1h; Further byproducts given; Photolysis;

DOI:10.1021/jo970897r

Reference yield:

1,5-dimethyl-1H-pyrazole (694-31-5) → 1,4-dimethylimidazole (6338-45-0) + 1,2-dimethylimidazole (10447-93-5) + 1,2-dimethyl-1H-imidazole (1739-84-0)

Guidance literature:

In acetonitrile; Mechanism; Product distribution; Irradiation; other substrate, other temperatures and irradiation times;

DOI:10.1021/jo00032a063

Reference yield:

1-methyl-2-imidazolecarboxylic acid (20485-43-2) + methyl iodide (74-88-4) → 1-methyl-1H-imidazole (616-47-7) + 1,2-dimethylimidazole (10447-93-5)

Guidance literature:

With tert.-butyl lithium; Yield given. Multistep reaction; 1.) THF, -70 deg C, 2.) decarboxylation;

DOI:10.1021/jo00098a006

upstream raw materials:

1,5-dimethyl-1H-pyrazole

1-methyl-2-imidazolecarboxylic acid

methyl iodide

isopilocarpine

Downstream raw materials:

ammonia

acetic acid

methylamine

(1,5-dimethylimidazole)(tetra-m-tolylporphyrinato)oxoiron(IV)

Refernces

• 1、 Connors, Robert E.,Burns, Douglas S.,Kurzweil, Edyth M.,Pavlik, James W.. "Temperature-Dependent Phototransposition Chemistry of 1,5-Dimethylpyrazole and 1,2-Dimethylimidazole". . p. 1937 - 1940. Retrieved 1992.