1,3-Propane sultone

Base Information

• Chemical Name: 1,3-Propane sultone
• CAS No.: 1120-71-4
• Molecular Formula: C3H6O3S
• Molecular Weight: 122.145
• Hs Code.: 29349990
• European Community (EC) Number: 214-317-9
• ICSC Number: 1524
• NSC Number: 42386
• UN Number: 2810,2811,3077
• UNII: L6NTK7VJX9
• DSSTox Substance ID: DTXSID8021195
• Nikkaji Number: J4.528D,J778.863K
• Wikipedia: 1,3-Propane_sultone
• Wikidata: Q1933902
• NCI Thesaurus Code: C44437
• ChEMBL ID: CHEMBL3185243
• Mol file: 1120-71-4.mol

Synonyms:1,3-propane sultone;propane sultone

Chemical Property of 1,3-Propane sultone

Chemical Property:

• Appearance/Colour: Clear crystals
• Vapor Pressure: 0.00237mmHg at 25°C
• Melting Point: 30-33 °C(lit.)
• Refractive Index: 1.478
• Boiling Point: 297.595 °C at 760 mmHg
• Flash Point: 133.781 °C
• PSA: 51.75000
• Density: 1.392 g/cm³
• LogP: 0.81730
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: Slightly soluble
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 122.00376522
• Heavy Atom Count: 7
• Complexity: 140
• Transport DOT Label: Poison

Purity/Quality:

≥99.9% ^*data from raw suppliers

1,3-Propanesultone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-21/22
• Safety Statements: 53-45-99

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C1COS(=O)(=O)C1
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin. The skin effects may appear after a latency period of a few hours.
• Effects of Long Term Exposure: This substance is carcinogenic to humans. May cause genetic damage in humans.
• Description: Propane sultone also known as 1,3-propane sultone was first produced in the United States in 1963. Propane sultone exists at room temperature as a colorless liquid with a foul odor or as a white crystalline solid.
• Uses: 1,3-Propane sultone is used as a chemical intermediate to introduce the sulfopropyl group into molecules and to confer water solubility and an anionic character to the molecules. It is used as a chemical intermediate in the production of fungicides, insecticides, cation-exchange resins, dyes, vulcanization accelerators, detergents, lathering agents, bacteriostats, and a variety of other chemicals and as a corrosion inhibitor for mild (untempered) steel.

Technology Process of 1,3-Propane sultone

There total 12 articles about 1,3-Propane sultone 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: 99.4%

3-hydroxypropanesulfonic acid (15909-83-8) → 1,3-propanesultone (1120-71-4)

Guidance literature:

3-hydroxypropanesulfonic acid; With pyridinium p-toluenesulfonate; at 55 ℃; for 2.5h; Large scale;

With calcium oxide; for 2h; Temperature; Reflux; Large scale;

Reference yield: 89.0%

allyl alcohol (107-18-6) → 1,3-propanesultone (1120-71-4)

Guidance literature:

With tert.-butylhydroperoxide; sodium hydrogensulfite; triethylamine; In water; at 70 ℃; for 6h; Reagent/catalyst; Temperature;

Reference yield: 70.0%

1,3-propanesultine (24308-28-9) → 1,3-propanesultone (1120-71-4)

Guidance literature:

With ruthenium trichloride; sodium hypochlorite; In dichloromethane; water; at 15 ℃; for 1h; Temperature; Solvent;

upstream raw materials:

3-hydroxypropanesulfonic acid

3-chloro-propane-1-sulfonic acid

1,3-propanesultine

3-sulfanylpropanol

Downstream raw materials:

1-(3-sulfopropyl)pyridine

Anhydro-2-methyl-5-chlor-3<3'-sulfopropyl>-benzthiazoliumhydroxid

3-(amino-benzylidenehydrazono-methylsulfanyl)-propane-1-sulfonic acid

3-p-tolylcarbamimidoylmercapto-propane-1-sulfonic acid

Refernces

• 1、 Davis, Anthony P.,Whitham, Gordon H.. "1,2-Oxathiolan, a Simple Sultene". . p. 741 - 742. Retrieved 1981.
• 2、 -. "1,3-propane sultone preparation method". Paragraph 0033-0048; 0049. . Retrieved 2019/10/01.
• 3、 -. "A method for preparing 1, 3 - propane lactone (by machine translation)". Paragraph 0026; 0033; 0034; 0041; 0042; 0049; 0050; 0057. . Retrieved 2019/01/08.