4-Isopropylimidazole

Base Information

• Chemical Name: 4-Isopropylimidazole
• CAS No.: 58650-48-9
• Molecular Formula: C₆H₁₀N₂
• Molecular Weight: 110.159
• European Community (EC) Number: 946-957-6
• DSSTox Substance ID: DTXSID90457842
• Wikidata: Q82280870
• Mol file: 58650-48-9.mol

Synonyms:4-ISOPROPYLIMIDAZOLE;58650-48-9;4-isopropyl-1H-imidazole;5-propan-2-yl-1H-imidazole;MFCD19217610;1H-Imidazole, 4-(1-methylethyl)-;4-isopropyl-imidazole;SCHEMBL801590;4-(propan-2-yl)-1H-imidazole;5-(1-methylethyl)-1h-imidazole;DTXSID90457842;HINMGNHBDCADKG-UHFFFAOYSA-N;AKOS006356252;AS-48350;SY037472;CS-0183520;EN300-134802;F30487

Chemical Property of 4-Isopropylimidazole

Chemical Property:

• Boiling Point: 241.0±9.0 °C(Predicted)
• PKA: 14.68±0.10(Predicted)
• PSA: 28.68000
• Density: 0.991±0.06 g/cm3(Predicted)
• LogP: 1.53310
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.084398327
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

98% ^*data from raw suppliers

4-Isopropylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CN=CN1
• Uses: 4-Isopropyl-1H-imidazole is used for rate acceleration of imidazole-promoted Baylis-Hillman reaction of cyclic enones with aldehydes in basic water solution.

Technology Process of 4-Isopropylimidazole

There total 4 articles about 4-Isopropylimidazole 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:

formamide (77287-34-4,77287-35-5,60100-09-6) + 1-bromo-3-methyl-2-butanone (19967-55-6) → 4-isopropyl-1H-imidazole (58650-48-9,196413-11-3)

Guidance literature:

for 4h; Heating;

Reference yield:

Isobutyronitrile (78-82-0) + trimethylsilylmethyl isocyanide (30718-17-3) → 4-isopropyl-1H-imidazole (58650-48-9,196413-11-3)

Guidance literature:

Reference yield:

formamidine acetic acid (3473-63-0) + 1-bromo-3-methyl-2-butanone (19967-55-6) → 4-isopropyl-1H-imidazole (58650-48-9,196413-11-3)

Guidance literature:

DOI:10.1039/b200846g

upstream raw materials:

formamide

1-bromo-3-methyl-2-butanone

formamidine acetic acid

Isobutyronitrile

Downstream raw materials:

1-ethyl-4-isopropylimidazole

Refernces

• 1、 -. "Process for the synthesis of imidazoles". Page/Page column 6. . Retrieved 2008/06/13.
• 2、 Lynch, Will E.,Kurtz Jr., Donald M.,Wang, Shengke,Scott, Robert A.. "Structural and functional models for the dicopper site in hemocyanin. Dioxygen binding by copper complexes of tris(1-R-4-R′-imidazolyl-kN)phosphines". . p. 11030 - 11038. Retrieved 2007/10/02.