Bis(1-methylimidazol-2-yl)methanol

Base Information

• Chemical Name: Bis(1-methylimidazol-2-yl)methanol
• CAS No.: 67319-03-3
• Molecular Formula: C9H12N4O
• Molecular Weight: 192.22
• DSSTox Substance ID: DTXSID60361265
• Nikkaji Number: J2.374.852E
• Wikidata: Q82143529
• Mol file: 67319-03-3.mol

Synonyms:67319-03-3;Bis(1-methylimidazol-2-yl)methanol;Bis-(1-methyl-1H-imidazol-2-yl)-methanol;bis(1-methyl-1H-imidazol-2-yl)methanol;1H-Imidazole-2-methanol, 1-methyl-a-(1-methyl-1H-imidazol-2-yl)-;SCHEMBL9499461;DTXSID60361265;AKOS006273690;Bis(1-methyl-1H-imidazole-2-yl)methanol;FT-0641114

Chemical Property of Bis(1-methylimidazol-2-yl)methanol

Chemical Property:

• Vapor Pressure: 1.7E-08mmHg at 25°C
• Boiling Point: 439.4oC at 760 mmHg
• Flash Point: 219.5oC
• PSA: 55.87000
• Density: 1.3g/cm3
• LogP: 0.23530
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.10111102
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

BIS-(1-METHYL-1H-IMIDAZOL-2-YL)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1C(C2=NC=CN2C)O

Technology Process of Bis(1-methylimidazol-2-yl)methanol

There total 3 articles about Bis(1-methylimidazol-2-yl)methanol 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: 70.0%

1-methyl-1H-imidazole (616-47-7) + formic acid ethyl ester (109-94-4) → bis(1-methyl-2-imidazolyl)hydroxymethane (67319-03-3)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃;

Reference yield:

1-methyl-1H-imidazole (616-47-7) + N-methyl-2-imidazolcarboxaldehyde (13750-81-7) → bis(1-methyl-2-imidazolyl)hydroxymethane (67319-03-3)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) diethyl ether;

Reference yield:

→ bis(1-methyl-2-imidazolyl)hydroxymethane (67319-03-3)

Guidance literature:

DOI:10.1021/ja00480a043

upstream raw materials:

1-methyl-1H-imidazole

N-methyl-2-imidazolcarboxaldehyde

formic acid ethyl ester

Downstream raw materials:

{Fe₄O₂(bis(N-methylimidazol-2-yl)carbinol)2(bis(N-methylimidazol-2-yl)carbinolate)2(O₂CPh)4}Cl₂*5H₂O*2CH₃CN

tetraethylammonium chloride

triethylamine hydrochloride

sodium chloride