3-Hydroxy-1-propane sul-fonic acid sodium salt

Base Information

• Chemical Name: 3-Hydroxy-1-propane sul-fonic acid sodium salt
• CAS No.: 3542-44-7
• Molecular Formula: C3H8NaO4S
• Molecular Weight: 162.142
• Hs Code.: 2905590090
• Mol file: 3542-44-7.mol

Synonyms:SCHEMBL918187;3-hydroxy-1-propane sul-fonic acid sodium salt;3-Hydroxy-1-propanesulfonic acid sodium salt, technical grade, 80%

Chemical Property of 3-Hydroxy-1-propane sul-fonic acid sodium salt

Chemical Property:

• Appearance/Colour: white to off-white powder and/or chunks
• Melting Point: 260 °C (dec.)(lit.)
• PSA: 85.81000
• Density: 1.489g/cm³
• LogP: -0.00520
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 163.00409919
• Heavy Atom Count: 9
• Complexity: 130

Purity/Quality:

99.0% ^*data from raw suppliers

Sodium1-Hydroxy-3-propanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CO)CS(=O)(=O)O.[Na]

Technology Process of 3-Hydroxy-1-propane sul-fonic acid sodium salt

There total 6 articles about 3-Hydroxy-1-propane sul-fonic acid 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: 80.0%

sodium hydrogensulfite + allyl alcohol (107-18-6) + sodium sulfite (7757-83-7) → sodium 3-hydroxypropanesulphonate (3542-44-7)

Guidance literature:

In not given; byproducts: Na2SO4; in presence of O2, oxidizing agents or salts of heavy metals;

Reference yield:

allyl alcohol (107-18-6) → sodium 3-hydroxypropanesulphonate (3542-44-7)

Guidance literature:

With sodium persulfate; dihydrogen peroxide; sodium hydrogensulfite; iron(II) sulfate; In water; at 50 ℃; for 1h; Concentration; Temperature;

Reference yield:

trimethylene oxide (503-30-0) + sodium sulfite (7757-83-7) → sodium 3-hydroxypropanesulphonate (3542-44-7)

Guidance literature:

With sulfur dioxide; In not given;

DOI:10.1021/ja01103a035

upstream raw materials:

1,3-propanesultone

trimethylene oxide

sodium sulfite

allyl alcohol

Downstream raw materials:

C₂₂H₂₁O₅PS

3-hydroxypropanesulfonic acid

3-(2-benzothiazolylthio)propane sulfonic acid

3-chloro-n-propanesulfonyl chloride

Refernces

• 1、 Canselier, J. P.,Boyer, J. L.,Castro, V.,Gard, G. L.,Mohtasham, J.,et al.. "13C NMR of Acyclic Sulphonated Compounds Including Some Fluorosulphonic Acids: a Chemical Shift Study". . p. 506 - 510. Retrieved 2007/10/02.