Pyridin-1-ium butane-1-sulfonate

Base Information

• Chemical Name: Pyridin-1-ium butane-1-sulfonate
• CAS No.: 21876-43-7
• Molecular Formula: C9H13 N O3 S
• Molecular Weight: 217.29
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10600010
• Mol file: 21876-43-7.mol

Synonyms:21876-43-7;Pyridin-1-ium butane-1-sulfonate;Pyridinium,1-(4-sulfobutyl)-, inner salt;butane-1-sulfonate;pyridin-1-ium;SCHEMBL3217710;pyridinium 1-butanesulfonate salt;DTXSID10600010;PYRIDIUM 1-BUTANESULFONATE;DB-321432

Chemical Property of Pyridin-1-ium butane-1-sulfonate

Chemical Property:

• Melting Point: 232 °C(Solv: ethanol (64-17-5))
• PSA: 75.64000
• LogP: 2.83670
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.07726451
• Heavy Atom Count: 14
• Complexity: 148

Purity/Quality:

99.5% ^*data from raw suppliers

PYRIDINIUM BUTYLSULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCS(=O)(=O)[O-].C1=CC=[NH+]C=C1

Technology Process of Pyridin-1-ium butane-1-sulfonate

There total 2 articles about Pyridin-1-ium butane-1-sulfonate 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: 100.0%

pyridine (110-86-1) + 1,4-butane sultone (1633-83-6) → pyridinium propyl sulfobetaine (21876-43-7)

Guidance literature:

at 40 ℃; for 10h;

Reference yield:

→ pyridinium propyl sulfobetaine (21876-43-7)

Guidance literature:

Pyridin, 4-Hydroxybutansulfonsaeure;

DOI:10.1021/jo01264a067

Reference yield: 100.0%

pyridinium propyl sulfobetaine (21876-43-7) + sulfuric acid (7664-93-9) → 1-(4-sulfobutyl)pyridinium hydrogen sulfate (827320-61-6)

Guidance literature:

In toluene; at 80 ℃; for 24h;

DOI:10.1039/c5ob01953b

upstream raw materials:

pyridine

1,4-butane sultone

Downstream raw materials:

1-(4-sulfobutyl)pyridinium hydrogen sulfate

1-(4-sulfobutyl)pyridinium trifluoromethanesulfonate

C₉H₁₃NO₃S*H₂O₄S

Refernces

• 1、 Rafiee, Ezzat,Mirnezami, Fakhrosadat. "Temperature regulated Br?nsted acidic ionic liquid-catalyze esterification of oleic acid for biodiesel application". . p. 296 - 302. Retrieved 2017.
• 2、 Füty?, Júlia,Fehér, Csaba,Hancsók, Jen?,Ispán, Dávid,Juzsakova, Tatjána,Skoda-F?ldes, Rita,Szegedi, ágnes. "Recyclable supported Br?nsted acidic ionic liquid catalysts with non-aromatic cations for the oligomerization of isobutene under mild conditions". . . Retrieved 2022/01/13.
• 3、 Kehrer, Matthias,Mehler, Julian,Taccardi, Nicola,Nagengast, Jens,Kadar, Julian,Collias, Dimitris,Dziezok, Peter,Wasserscheid, Peter,Albert, Jakob. "Zwitterionic Hydrobromic Acid Carriers for the Synthesis of 2-Bromopropionic Acid from Lactide". . p. 1063 - 1072. Retrieved 2018/03/01.