1,3-Di-tert-butylbenzimidazolium chloride

Base Information

• Chemical Name: 1,3-Di-tert-butylbenzimidazolium chloride
• CAS No.: 946607-10-9
• Molecular Formula: C₁₅H₂₃N₂*Cl
• Molecular Weight: 266.814
• Hs Code.: 2933998090
• European Community (EC) Number: 691-395-4
• DSSTox Substance ID: DTXSID90584844
• Mol file: 946607-10-9.mol

Synonyms:1,3-Di-tert-butylbenzimidazolium chloride;946607-10-9;1,3-Di-t-butylbenzimidazolium chloride;1,3-ditert-butylbenzimidazol-3-ium;chloride;1,3-di-tert-butyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylium chloride;SCHEMBL17558043;DTXSID90584844;WMB60710;MFCD08705247;AS-83650;CS-0087434;E81068;1,3-Di-tert-butyl-1H-benzimidazol-3-ium chloride;1,3-Di-tert-butyl-1H-benzo[d]imidazol-3-ium chloride

Chemical Property of 1,3-Di-tert-butylbenzimidazolium chloride

Chemical Property:

• Melting Point: 204 °C (dec.)
• PSA: 8.81000
• LogP: 0.44280
• Sensitive.: air sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 266.1549764
• Heavy Atom Count: 18
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

1,3-Di-t-butylbenzimidazolium chloride, min. 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C=[N+](C2=CC=CC=C21)C(C)(C)C.[Cl-]
• Uses: Reactant for preparation of:NHC borane complexes by Lewis base exchangeFluorescent 5,5′-bibenzimidazolylidenesDonor-acceptor triazenes

Technology Process of 1,3-Di-tert-butylbenzimidazolium chloride

There total 1 articles about 1,3-Di-tert-butylbenzimidazolium chloride 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:

N1,N2-di-tert-butylbenzene-1,2-diamine + orthoformic acid triethyl ester (122-51-0) → 1,3-bis(tert-butyl)benzimidazolium chloride (946607-10-9)

Guidance literature:

With hydrogenchloride; at 50 ℃; for 10h;

DOI:10.1021/jo070789x

upstream raw materials:

orthoformic acid triethyl ester