Sodium 1-propanesulfonate

Base Information

• Chemical Name: Sodium 1-propanesulfonate
• CAS No.: 14533-63-2
• Molecular Formula: C3H7NaO3S
• Molecular Weight: 146.143
• Hs Code.: 29041000
• European Community (EC) Number: 238-564-7
• DSSTox Substance ID: DTXSID90162984
• Nikkaji Number: J208.638G
• Mol file: 14533-63-2.mol

Synonyms:1-Propanesulfonicacid, sodium salt (7CI,8CI,9CI);Propylsulfonic acid sodium salt;Sodium n-propylsulfonate;

Chemical Property of Sodium 1-propanesulfonate

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 250 °C (dec.)(lit.)
• PSA: 65.58000
• LogP: 1.02240
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 146.00135954
• Heavy Atom Count: 8
• Complexity: 122

Purity/Quality:

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

Sodium 1-Propanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCS(=O)(=O)[O-].[Na+]

Technology Process of Sodium 1-propanesulfonate

There total 2 articles about Sodium 1-propanesulfonate 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: 82.0%

n-propanesulfonyl chloride (10147-36-1) → 1-propanesulfonic acid sodium salt (14533-63-2)

Guidance literature:

With sodium hydrogencarbonate; sodium sulfite; In water; at 20 ℃; for 2.25h;

DOI:10.1002/chem.202000899

Reference yield:

1-iodo-propane (107-08-4) → 1-propanesulfonic acid sodium salt (14533-63-2)

Guidance literature:

With sodium sulfite; Heating;

DOI:10.1246/bcsj.64.3023

Reference yield:

1-propanesulfonic acid sodium salt (14533-63-2) → n-propanesulfonyl chloride (10147-36-1)

Guidance literature:

With chlorine-triphenylphosphine; In acetonitrile; for 15h; Ambient temperature;

DOI:10.1055/s-1998-4488

upstream raw materials:

n-propanesulfonyl chloride

1-iodo-propane

Downstream raw materials:

n-propanesulfonyl chloride

2-hydroxypropane-1-sulfonic acid

3-hydroxypropanesulfonic acid

1-benzyl-3-ethyl-3,4-dihydro-1H-2,1-benzothiazin-4-one 2,2-dioxide

Refernces

• 1、 Bayaraa, Tenuun,Kurz, Julia L.,Patel, Khushboo M.,Hussein, Waleed M.,Bilyj, Jessica K.,West, Nicholas P.,Schenk, Gerhard,McGeary, Ross P.,Guddat, Luke W.. "Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor". . p. 8958 - 8968. Retrieved 2020/07/04.