4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate

Base Information

• Chemical Name: 4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate
• CAS No.: 439937-63-0
• Molecular Formula: C11H21N2O3S.CF3O3S
• Molecular Weight: 410.43
• European Community (EC) Number: 628-455-6
• DSSTox Substance ID: DTXSID90467103
• Mol file: 439937-63-0.mol

Synonyms:439937-63-0;4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate;1-butyl-3-(4-sulfobutyl)-1H-imidazol-3-ium trifluoromethanesulfonate;4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid;trifluoromethanesulfonate;1-butyl-3-(4-sulfobutyl)imidazolium trifluoromethanesulfonate;SCHEMBL34574;DTXSID90467103;JJUNHKAVFOFCHX-UHFFFAOYSA-N;AKOS025394689;AS-70041;E85268;1-sulfobutyl-3-butylimidazolium trifluoromethanesulfonate;1-(4-Sulfobutyl)-3-butylimidazolium Trifluoromethanesulfonate

Chemical Property of 4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate

Chemical Property:

• PSA: 154.86000
• LogP: 3.02120
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 410.07931323
• Heavy Atom Count: 25
• Complexity: 445

Purity/Quality:

95% ^*data from raw suppliers

1-Butyl-3-(4-sulfobutyl)-1h-imidazol-3-ium tifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN1C=C[N+](=C1)CCCCS(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-]
• Uses: 1-(4-Sulfobutyl)-3-butylimidazolium Trifluoromethanesulfonate is used in preparation of Me Glycolate via Ionic liquids catalyzed three-component reaction of Trioxymethylene, water and CO followed by Esterification with MeOH.

Technology Process of 4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate

There total 3 articles about 4-(3-Butyl-1-imidazolio)-1-butanesulfonic acid triflate 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: 97.0%

1-(1-butyl-3-imidazolio)butane-4-sulfonate (439937-61-8) + trifluorormethanesulfonic acid (1493-13-6) → 3-butyl-1-(butyl-4-sulfobutyl)imidazolium trifluoromethanesulfonate (439937-63-0)

Guidance literature:

at 60 ℃; for 18h; Inert atmosphere;

DOI:10.1039/c0ob00701c

Reference yield:

1-Butylimidazole (4316-42-1) + 1,4-butane sultone (1633-83-6) + trifluorormethanesulfonic acid (1493-13-6) → 3-butyl-1-(butyl-4-sulfobutyl)imidazolium trifluoromethanesulfonate (439937-63-0)

Guidance literature:

1-Butylimidazole; 1,4-butane sultone;

trifluorormethanesulfonic acid; at 40 ℃; for 2h; Further stages.;

DOI:10.1021/ja026290w

Reference yield:

1-Butylimidazole (4316-42-1) → 3-butyl-1-(butyl-4-sulfobutyl)imidazolium trifluoromethanesulfonate (439937-63-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 h / 20 °C

2: 5 h / 150 °C / Inert atmosphere

DOI:10.1039/c1gc15989e

upstream raw materials:

1-Butylimidazole

1,4-butane sultone

trifluorormethanesulfonic acid

1-(1-butyl-3-imidazolio)butane-4-sulfonate

Refernces

• 1、 Seo, Sungyong,Park, Juyun,Kang, Yong-Cheol. "Chemical Analysis of Ionic Liquids Using Photoelectron Spectroscopy". . p. 355 - 360. Retrieved 2016/03/15.
• 2、 Song, Heyuan,Li, Zhen,Chen, Jing,Xia, Chungu. "Broensted acidic ionic liquids as efficient and recyclable catalysts for the carbonylation of formaldehyde". experimental part. p. 81 - 86. Retrieved 2012/04/10.