3-HYDROXYPROPANESULFONIC ACID

Base Information

• Chemical Name: 3-HYDROXYPROPANESULFONIC ACID
• CAS No.: 15909-83-8
• Molecular Formula: C3H8O4S
• Molecular Weight: 140.16
• Hs Code.: 2905590090
• European Community (EC) Number: 240-051-8
• UNII: C667KS76K4
• DSSTox Substance ID: DTXSID1065970
• Nikkaji Number: J201.792J,J3.210.448G
• Wikidata: Q27455469
• ChEMBL ID: CHEMBL1207163
• Mol file: 15909-83-8.mol

Synonyms:1-Hydroxypropane-3-sulfonicacid;3-Hydroxy-1-propanesulfonic acid;3-Hydroxypropanesulfonic acid;

Chemical Property of 3-HYDROXYPROPANESULFONIC ACID

Chemical Property:

• Refractive Index: n20/D 1.456
• PKA: 1.69±0.50(Predicted)
• Flash Point: 100 °C
• PSA: 82.98000
• Density: 1.489 g/cm³
• LogP: 0.33740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 140.01432991
• Heavy Atom Count: 8
• Complexity: 130

Purity/Quality:

99.0% ^*data from raw suppliers

3-Hydroxypropanesulfonic Acid (contains varying amounts of 3,3'-Oxydipropanesulfonic Acid)(ca. 80% in Water, ca. 7.8mol/L) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-21/22-35
• Safety Statements: 53-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)CS(=O)(=O)O
• Uses: 3-Hydroxypropanesulfonic Acid is used in preparation of Propane Sultone from Hydroxypropanesulfonic Acid.

Technology Process of 3-HYDROXYPROPANESULFONIC ACID

There total 15 articles about 3-HYDROXYPROPANESULFONIC ACID 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: 86.0%

3-[(3-hydroxypropyl)disulfanyl]-1-propanol (30453-21-5) → 3-hydroxypropanesulfonic acid (15909-83-8)

Guidance literature:

With sodium periodate; borate buffer; In water; 1.) 70 deg C, 4h, 2.) 12 r.t.;

DOI:10.1021/jo00296a009

Reference yield:

allyl alcohol (107-18-6) → 3-hydroxypropanesulfonic acid (15909-83-8)

Guidance literature:

With potassium bisulfite; potassium sulfite; water;

Reference yield:

sodium 3-hydroxypropanesulphonate (3542-44-7) → 3-hydroxypropanesulfonic acid (15909-83-8)

Guidance literature:

With sulfuric acid; In water; at 50 ℃; for 2h; Temperature;

upstream raw materials:

propan-1-ol

allyl alcohol

acrolein

1-bromo-3-propanol

Downstream raw materials:

3-chloro-n-propanesulfonyl chloride

3-benzyloxypropane-1-sulfonic acid sodium salt

C₁₁H₁₅NO₅S

3-Hydroxy propane sulfonic acid-(3-sulfopropyl)-ester

Refernces

• 1、 -. "1,3-propane sultone preparation method". Paragraph 0033-0035; 0038-0040; 0043-0045; 0049. . Retrieved 2019/10/01.
• 2、 -. "A method for preparing 1, 3 - propane lactone (by machine translation)". Paragraph 0026-0032; 0034-0040; 0042-0048; 0050-0056. . Retrieved 2019/01/08.