1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt

Base Information

• Chemical Name: 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt
• CAS No.: 2039-96-5
• Molecular Formula: C6H16 O3 S Si . Na
• Molecular Weight: 218.325
• Hs Code.: 2931900090
• European Community (EC) Number: 218-031-5
• UNII: 996MF68A8L
• DSSTox Substance ID: DTXSID7062118
• Metabolomics Workbench ID: 166232
• Nikkaji Number: J298.658B
• Mol file: 2039-96-5.mol

Synonyms:2,2-dimethyl-2-silapentane-5-sulfonate;2,2-dimethyl-2-silapentane-5-sulfonate, sodium salt;3-(trimethylsilyl)-1-propane sulfonate;3-(trimethylsilyl)propane sulfonic acid;3-(trimethylsilyl)propanesulfonic acid;4,4-dimethyl-4-silapentane-1-sulfonic acid;sodium 4,4-dimethyl-4-silapentane-2-sulfonate

Chemical Property of 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt

Chemical Property:

• Appearance/Colour: WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER
• Melting Point: ~165 °C (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.58000
• Density: g/cm³
• LogP: 2.34070
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 218.04088633
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

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

Sodium3-(Trimethylsilyl)-1-propanesulfonate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Metalloid Compounds (Silicon)
• Canonical SMILES: C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]
• Uses: 3-(Trimethylsilyl)-1-Propanesulfonic Acid Sodium Salt is an internal NMR standard for use with D2O

Technology Process of 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt

There total 2 articles about 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt 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:

tris(trimethylsilylpropyl)aluminium (18546-65-1) → 3-(trimethylsilyl)-1-propanesulfonic acid,sodium salt (2039-96-5)

Guidance literature:

With sodium hydroxide; sulfur trioxide; Yield given. Multistep reaction; 1.) CH₂Cl₂, Et₂O, 20 deg C, 3 h, 2.) CH₂Cl₂, Et₂O, 0 deg C;

DOI:10.1016/S0022-328X(00)90331-0

Reference yield:

→ 3-(trimethylsilyl)-1-propanesulfonic acid,sodium salt (2039-96-5)

Guidance literature:

Reference yield:

meso-{tetrakis(p-sulfonatophenyl)porphinatodiaquorhodate(III)}(3-) + 3-(trimethylsilyl)-1-propanesulfonic acid,sodium salt (2039-96-5) → aquamethyl(tetra(p-sulfonatophenyl)porphyrinato(6-))rhodium(III)

Guidance literature:

In water-d2; byproducts: HOSi(CH3)2CH2CH2CH2SO3Na, H(1+); heating D2O soln. of rhodium compd. and silane deriv. with pH 3 in dark at 353 K; NMR monitoring; Kinetics;

DOI:10.1021/ja207468n

upstream raw materials:

tris(trimethylsilylpropyl)aluminium

Refernces

• 1、 -. "Sesquiterpene derivatives having anti-complementary activity". . . Retrieved 2008/06/13.