2-(Trimethylazaniumyl)ethanesulfonate

Base Information

• Chemical Name: 2-(Trimethylazaniumyl)ethanesulfonate
• CAS No.: 7465-57-8
• Molecular Formula: C5H14NO3S+
• Molecular Weight: 167.229
• NSC Number: 57826
• Mol file: 7465-57-8.mol

Synonyms:NSC57826;SCHEMBL989635;NSC-57826

Chemical Property of 2-(Trimethylazaniumyl)ethanesulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.06161445
• Heavy Atom Count: 10
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCS(=O)(=O)[O-]

Technology Process of 2-(Trimethylazaniumyl)ethanesulfonate

There total 21 articles about 2-(Trimethylazaniumyl)ethanesulfonate 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: 90.0%

(2-bromoethyl)trimethylammonium bromide (2758-06-7) → 2-(N,N,N-trimethylamino)ethanesulfonate (7465-57-8)

Guidance literature:

With water; sodium sulfite; for 3h; Heating;

DOI:10.1111/j.2042-7158.1994.tb03887.x

Reference yield: 72.0%

(R)-N,N,N-trimethyl-2-<<(1-methylheptyl)oxy>sulfonyl>ethanaminium ethenesulfonate (80313-97-9) → 2-(N,N,N-trimethylamino)ethanesulfonate (7465-57-8) + (S)-(+)-1-methylheptyl ethenesulfonate (80314-09-6)

Guidance literature:

In toluene; at 110 ℃; for 1h; Product distribution; stereochemistry of reactions of 1-methylheptyl betylates, percentage inversion; preparative nucleophilic substitution by way of <2>-, <3>-, and <4>betylates; substrate-reagent ion-pair (SRIP) reactions of betylates;

DOI:10.1021/ja00389a038

Reference yield: 45.0%

2-hydroxyethane-1-sulfonyl chloride (78303-70-5) + butan-1-ol (71-36-3) → 2-(N,N,N-trimethylamino)ethanesulfonate (7465-57-8) + butyl 2-hydroxyethanesulfonate (78303-74-9) + 2-Hydroxy-ethanesulfonic acid; compound with trimethyl-amine (78303-75-0) + 2-Chloro-ethanesulfonic acid; compound with trimethyl-amine (19030-99-0)

Guidance literature:

With trimethylamine;

DOI:10.1039/c39810000295

upstream raw materials:

diazomethane

Tau

bromocholine

trimethyl-vinylammonium cation

Downstream raw materials:

2-hydroxyethanesulfonic acid

trimethylamine

Refernces

• 1、 King,Hillhouse,Skonieczny. "Vinylogous nucleophilic catalysis. Tertiary amine promoted hydrolysis of 1-alkene-1-sulfonyl chlorides". . p. 1977 - 1995. Retrieved 2007/10/02.
• 2、 King, James F.,Hillhouse, John H.. "2-Hydroxyethanesulphonyl Chloride: a Sulphonyl Chloride with a Primary Hydroxy-group". . p. 295 - 296. Retrieved 2007/10/02.