2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate

Base Information

• Chemical Name: 2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate
• CAS No.: 7365-44-8
• Molecular Formula: C6H15NO6S
• Molecular Weight: 229.254
• Hs Code.: 29221980
• Mol file: 7365-44-8.mol

Synonyms:CHEBI:39036;2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate;n-tris(hydroxymethyl)methyl-2-aminoethanesulfonate;N-tris(hydroxymethyl)methyl-2-ammonioethanesulfonate

Chemical Property of 2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: ~223-225 °C
• Refractive Index: 1.57
• PKA: 7.5(at 25℃)
• PSA: 135.47000
• Density: 1.554 g/cm³
• LogP: -1.34880
• Storage Temp.: Store at RT.
• Solubility.: H2O: 1 M at 20 °C, clear, colorless
• Water Solubility.: SOLUBLE
• XLogP3: -5.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 229.06200837
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99%, ^*data from raw suppliers

TES Free Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CS(=O)(=O)[O-])[NH2+]C(CO)(CO)CO
• Uses: A structural analog to Tris buffer. Biological buffer. TES is a commonly used buffering agent.

Technology Process of 2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate

There total 2 articles about 2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}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: 87.0%

1-Bromo-2-chloroethane (107-04-0) + 2-amino-2-hydroxymethyl-1,3-propanediol (77-86-1) → N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (7365-44-8)

Guidance literature:

1-Bromo-2-chloroethane; 2-amino-2-hydroxymethyl-1,3-propanediol; With sodium hydroxide; In water; for 4h; pH=< 7.0; Reflux;

With copper; sodium sulfite; In water; for 16h; Reflux;

Reference yield:

→ N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (7365-44-8)

Guidance literature:

Natriumbromethansulfonat, Tris-(hydroxymethyl)-aminomethan;

DOI:10.1021/bi00866a011

Reference yield:

N-tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid (7365-44-8) + TPO chloride (1444690-54-3) → C29H35NO8PS(1-)*K(1+)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

upstream raw materials:

1-Bromo-2-chloroethane

2-amino-2-hydroxymethyl-1,3-propanediol

Refernces

• 1、 -. "Therapeutically active complexes of tetracyclines". . . Retrieved 2008/06/13.