2-Methyl-4-(trifluoromethyl)-1H-imidazole

Base Information

• Chemical Name: 2-Methyl-4-(trifluoromethyl)-1H-imidazole
• CAS No.: 33468-67-6
• Molecular Formula: C5H5F3N2
• Molecular Weight: 150.103
• Hs Code.: 2933290090
• European Community (EC) Number: 640-544-1
• DSSTox Substance ID: DTXSID80343700
• Wikidata: Q72492020
• Mol file: 33468-67-6.mol

Synonyms:33468-67-6;2-Methyl-4-(trifluoromethyl)-1H-imidazole;2-Methyl-4-trifluoromethylimidazole;2-methyl-5-(trifluoromethyl)-1H-imidazole;2-Methyl-4-trifluoromethyl-1H-imidazole;1H-Imidazole, 2-methyl-4-(trifluoromethyl)-;MFCD10000863;2-methyl-4-(trifluoromethyl)imidazole;Imidazole, 2-methyl-4-trifluoromethyl-;SCHEMBL2198117;DTXSID80343700;2-Methyl-4-trifluoromethyl imidazole;BBL101547;STL555343;AKOS005259798;AKOS026727551;AC-6897;CS-W006854;DS-14568;A5962;AM20090509;FT-0658602;2-Methyl-4-(trifluoromethyl)-1H-imidazole #;EN300-43115;C74716

Chemical Property of 2-Methyl-4-(trifluoromethyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.0362mmHg at 25°C
• Melting Point: 179-180 °C
• Refractive Index: 1.429
• Boiling Point: 249.445 °C at 760 mmHg
• PKA: 10.84±0.10(Predicted)
• Flash Point: 104.661 °C
• PSA: 28.68000
• Density: 1.355 g/cm³
• LogP: 1.73690
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 150.04048265
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-4-(trifluoromethyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1)C(F)(F)F

Technology Process of 2-Methyl-4-(trifluoromethyl)-1H-imidazole

There total 8 articles about 2-Methyl-4-(trifluoromethyl)-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: 70.0%

acetaldehyde (75-07-0,9002-91-9) + 1,1-dibromo-3,3,3-trifluoroacetone (431-67-4) → 2-methyl-5-(trifluoromethyl)imidazole (33468-67-6)

Guidance literature:

1,1-dibromo-3,3,3-trifluoroacetone; With sodium acetate; In water; for 0.5h; Heating / reflux;

acetaldehyde; With ammonia; In methanol; water; at 20 ℃; for 18h;

Reference yield: 67.0%

2-methylimidazole (693-98-1) + Langlois reagent (2926-29-6) → 2-methyl-4-(trifluoromethyl)-1H-imidazole (33468-67-6)

Guidance literature:

With acetone; at 20 ℃; for 40h; UV-irradiation; Inert atmosphere;

DOI:10.1021/jacs.6b02782

Reference yield: 54.0%

acetaldehyde (75-07-0,9002-91-9) + 3,3,3-Trifluoropyruvaldehyde (91944-47-7) → 2-methyl-4-(trifluoromethyl)-1H-imidazole (33468-67-6)

Guidance literature:

With ammonium hydroxide; In methanol; at 0 - 20 ℃; Sealed tube;

upstream raw materials:

2-methylimidazole

difluorodiiodomethane

acetaldehyde

1,1-dibromo-3,3,3-trifluoroacetone

Downstream raw materials:

N-(2-fluorobenzyl)-4-(2-methyl-4-(trifluoromethyl)-1H-imidazol-1-yl)aniline

C₁₁H₇F₄N₃O₂

C₁₁H₈F₃N₃O₂

2-methyl-1H-imidazole-4-carbonitrile