1-t-Butylimidazole

Base Information

• Chemical Name: 1-t-Butylimidazole
• CAS No.: 45676-04-8
• Molecular Formula: C7H12 N2
• Molecular Weight: 124.186
• Hs Code.: 2933290090
• European Community (EC) Number: 812-053-4
• DSSTox Substance ID: DTXSID50196588
• Nikkaji Number: J359.902G
• Wikidata: Q83069618
• Mol file: 45676-04-8.mol

Synonyms:45676-04-8;1-tert-Butyl-1H-imidazole;1-t-Butylimidazole;1-tert-butylimidazole;1-(tert-Butyl)-1H-imidazole;1-tertButylimidazole;SCHEMBL179249;DTXSID50196588;AMQKPABOPFXDQM-UHFFFAOYSA-N;VBA67604;MFCD19441219;AKOS016004673;AB92402;AS-45760;BL004043;B4985;CS-0154875

Chemical Property of 1-t-Butylimidazole

Chemical Property:

• Vapor Pressure: 0.188mmHg at 25°C
• Refractive Index: 1.4800 to 1.4840
• Boiling Point: 218.2°C at 760 mmHg
• PKA: 7.22±0.30(Predicted)
• Flash Point: 85.8°C
• PSA: 17.82000
• Density: 0.92g/cm³
• LogP: 1.63810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.100048391
• Heavy Atom Count: 9
• Complexity: 93.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-tert-Butyl-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C=CN=C1

Technology Process of 1-t-Butylimidazole

There total 8 articles about 1-t-Butylimidazole 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: 82.0%

1H-imidazole (288-32-4) + t-butyl bromide (507-19-7) → 1-tert-butylimidazole (45676-04-8)

Guidance literature:

With copper(l) iodide; tetraethoxy orthosilicate; potassium carbonate; at 200 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1016/j.bmcl.2009.02.065

Reference yield: 70.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Glyoxal (131543-46-9,107-22-2) + tert-butylamine (75-64-9) → 1-tert-butylimidazole (45676-04-8)

Guidance literature:

With ammonia; In water; at 100 ℃; for 0.5h;

DOI:10.1021/ic101122n

Reference yield: 38.0%

1-(tert-butyl)-2-mercaptoimidazole (61640-27-5) → 1-tert-butylimidazole (45676-04-8)

Guidance literature:

With nitric acid; In water; Heating;

upstream raw materials:

1H-imidazole

tertiary butyl chloride

formaldehyd

Glyoxal

Downstream raw materials:

Br^(1-)*C₁₆H₂₁N₂O₂⁽¹⁺⁾

Refernces

• 1、 Liu, Yuan,Kean, Zachary S.,D'Aquino, Andrea I.,Manraj, Yashin D.,Mendez-Arroyo, Jose,Mirkin, Chad. A.. "Palladium(II) Weak-Link Approach Complexes Bearing Hemilabile N-Heterocyclic Carbene-Thioether Ligands". . p. 5902 - 5910. Retrieved 2017.
• 2、 Li,Reeder,Torri,Adams,Jones. "Mechanistic investigations of the asymmetric hydrosilylation of ketimines with trichlorosilane reveals a dual activation model and an organocatalyst with enhanced efficiency". . p. 2422 - 2435. Retrieved 2017/03/20.