(1-Isobutyl-1H-imidazol-5-yl)methanol

Base Information

• Chemical Name: (1-Isobutyl-1H-imidazol-5-yl)methanol
• CAS No.: 226930-88-7
• Molecular Formula: C8H14N2O
• European Community (EC) Number: 803-425-7
• DSSTox Substance ID: DTXSID60470583
• Mol file: 226930-88-7.mol

Synonyms:(1-Isobutyl-1H-imidazol-5-yl)methanol;226930-88-7;[3-(2-methylpropyl)imidazol-4-yl]methanol;CHEMBRDG-BB 4016574;SCHEMBL5654439;DTXSID60470583;QHLQRYOQMUYPSS-UHFFFAOYSA-N;5-hydroxymethyl-1-isobutylimidazole;BJA93088;MFCD08060034;AKOS006343730;BS-36615;CS-0357090;FT-0724041;(1-Isobutyl-1H-imidazol-5-yl)methanol, AldrichCPR

Chemical Property of (1-Isobutyl-1H-imidazol-5-yl)methanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 154.110613074
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C=NC=C1CO

Technology Process of (1-Isobutyl-1H-imidazol-5-yl)methanol

There total 3 articles about (1-Isobutyl-1H-imidazol-5-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: 45.0%

dihydroxyacetone (96-26-4,26776-70-5) + isobutylamine hydrochloride (5041-09-8) → 1-isobutyl-5-(hydroxymethyl)imidazole (226930-88-7) + (1-methyl-1H-imidazol-5-yl)methanol (38993-84-9)

Guidance literature:

Reference yield: 12.0%

Isobutyl bromide (78-77-3) + 4-hydroxymethyl-1H-imidazole hydrochloride (32673-41-9) → 1-isobutyl-5-(hydroxymethyl)imidazole (226930-88-7)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; Heating;

DOI:10.1039/b508184j

Reference yield:

5-hydroxymethyl-1-isobutyl-2-mercaptoimidazole (497855-89-7) → 1-isobutyl-5-(hydroxymethyl)imidazole (226930-88-7)

Guidance literature:

With nitric acid; sodium nitrite; In water; at 0 - 20 ℃; for 2h;

upstream raw materials:

Isobutyl bromide

4-hydroxymethyl-1H-imidazole hydrochloride

5-hydroxymethyl-1-isobutyl-2-mercaptoimidazole

dihydroxyacetone