(2S)-2-Hydroxypropyl methanesulfonate

Base Information

• Chemical Name: (2S)-2-Hydroxypropyl methanesulfonate
• CAS No.: 262423-83-6
• Molecular Formula: C4H10O4S
• Molecular Weight: 154.1848
• DSSTox Substance ID: DTXSID50550106
• Wikidata: Q82429323
• Mol file: 262423-83-6.mol

Synonyms:262423-83-6;(2S)-2-Hydroxy-1-propyl Methanesulfonate;(2S)-2-Hydroxypropyl methanesulfonate;[(2S)-2-hydroxypropyl] methanesulfonate;1,2-Propanediol, 1-methanesulfonate, (2S)-;(S)-2-hydroxypropyl methanesulfonate;SCHEMBL16790654;DTXSID50550106;CS-0450494

Chemical Property of (2S)-2-Hydroxypropyl methanesulfonate

Chemical Property:

• Boiling Point: 308.9±25.0 °C(Predicted)
• PKA: 13.78±0.20(Predicted)
• PSA: 71.98000
• Density: 1.286±0.06 g/cm3(Predicted)
• LogP: 0.42420
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.02997997
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

(2S)-2-Hydroxy-1-propylMethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COS(=O)(=O)C)O
• Isomeric SMILES: C[C@@H](COS(=O)(=O)C)O
• Uses: (2S)-2-Hydroxy-1-propyl Methanesulfonate can be used in the preparation of labeled cocaine analogs.

Technology Process of (2S)-2-Hydroxypropyl methanesulfonate

There total 1 articles about (2S)-2-Hydroxypropyl methanesulfonate 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: 57.0%

(S)-1,2-Propanediol (4254-15-3,63625-56-9) + methanesulfonyl chloride (124-63-0) → (S)-2-hydroxy-propyl methanesulfonate (262423-83-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1021/jm9902234

Reference yield: 84.0%

3β-(4'-chlorophenyl)tropane-2β-carboxylic acid chloride (189949-97-1) + (S)-2-hydroxy-propyl methanesulfonate (262423-83-6) → 2β-carbo-(S)-1'-mesyl-2-propoxy-3β-(4-chlorophenyl)tropane (262423-84-7)

Guidance literature:

With triethylamine; In dichloromethane; at 10 ℃;

DOI:10.1021/jm9902234

Reference yield:

(1R,2S,3S,5S)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyl chloride + (S)-2-hydroxy-propyl methanesulfonate (262423-83-6) → 3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid (S)-2-methanesulfonyloxy-1-methyl-ethyl ester

Guidance literature:

With triethylamine;

upstream raw materials:

(S)-1,2-Propanediol

methanesulfonyl chloride

Downstream raw materials:

2β-carbo-(S)-1'-mesyl-2-propoxy-3β-(4-chlorophenyl)tropane

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