3-((2-Hydroxyethyl)dimethylammonio)propane-1-sulfonate

Base Information

• Chemical Name: 3-((2-Hydroxyethyl)dimethylammonio)propane-1-sulfonate
• CAS No.: 38880-58-9
• Molecular Formula: C7H19NO5S
• Molecular Weight: 211.282
• Hs Code.: 2923900090
• European Community (EC) Number: 254-176-0
• Metabolomics Workbench ID: 62605
• Wikidata: Q27132387
• Mol file: 38880-58-9.mol

Synonyms:38880-58-9;NDSB-211;3-((2-Hydroxyethyl)dimethylammonio)propane-1-sulfonate;NSDB 211;non-detergent sulfobetaine 211;NDSB 211;non detergent sulfobetaine 211;MFCD01320397;Dimethyl-(2-hydroxyethyl)-(3-sulfopropyl)ammonium, Inner Salt;(2-Hydroxyethyl)dimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt [for Biochemical Research];dimethyl(2-hydroxyethyl)ammonium propane sulfonate;3-[(2-Hydroxyethyl)dimethylammonio]propane-1-sulfonate;3-[(2-hydroxyethyl)(dimethyl)ammonio]propane-1-sulfonate;3-[(2-hydroxyethyl)(dimethyl)azaniumyl]propane-1-sulfonate;3-[2-hydroxyethyl(dimethyl)azaniumyl]propane-1-sulfonate;SCHEMBL16211685;CHEBI:63103;(2-Hydroxyethyl)dimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt;SB79188;SY056478;NDSB 211, >=98% (TLC);FT-0667460;H1399;T72415;Q27132387;3-[(2-hydroxyethyl)dimethylazaniumyl]propane-1-sulfonate;dimethyl-(2-hydroxyethyl)-(3-sulfopropyl)ammonium inner salt

Chemical Property of 3-((2-Hydroxyethyl)dimethylammonio)propane-1-sulfonate

Chemical Property:

• Melting Point: 246.0 to 250.0 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 85.81000
• Density: g/cm³
• LogP: 0.07120
• Solubility.: methanol: soluble5mg/mL, clear, colorless
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 211.08782920
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

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

Dimethyl-(2-hydroxyethyl)-(3-sulfopropyl)ammonium,InnerSalt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(CCCS(=O)(=O)[O-])CCO
• Uses: NDSB-211 is a non-detergent sulfobetaine that has been used as a mild solubilizing and stabilizing agent for halophilic malate dehydrogenase, halophilic elongation factor Tu, pig heart amylate dehydrogenase, chicken egg white lysozyme and E. coli b-galactosidase.

Technology Process of 3-((2-Hydroxyethyl)dimethylammonio)propane-1-sulfonate

There total 3 articles about 3-((2-Hydroxyethyl)dimethylammonio)propane-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: 90.0%

2-(N,N-dimethylamino)ethanol (108-01-0) + sodium 3-bromopropane-1-sulfonate → 3-[(2-hydroxyethyl)dimethylammonio]propane-1-sulfonate (38880-58-9)

Guidance literature:

In N,N-dimethyl-formamide; at 70 ℃; for 48h;

DOI:10.1002/ejoc.201402734

Reference yield:

1,3-propanesultone (1120-71-4) + 2-(N,N-dimethylamino)ethanol (108-01-0) → 3-[(2-hydroxyethyl)dimethylammonio]propane-1-sulfonate (38880-58-9)

Guidance literature:

In ethanol; at 20 ℃; for 2h;

Reference yield:

→ 3-[(2-hydroxyethyl)dimethylammonio]propane-1-sulfonate (38880-58-9)

Guidance literature:

(CH3)2NCH2CH2OH / Aethanol, /BRN= 109782/;

upstream raw materials:

2-(N,N-dimethylamino)ethanol

1,3-propanesultone

Downstream raw materials:

3-[N,N-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium]propane-1-sulfonic acid

Refernces

• 1、 Kratzer, Domenic,Barner, Leonie,Friedmann, Christian,Br?se, Stefan,Lahann, Joerg. "A synthetic route to sulfobetaine methacrylates with varying charge distance". . p. 8064 - 8071. Retrieved 2015/02/02.