Methanesulfonic acid, 1-methylpropyl ester, (S)-

Base Information

• Chemical Name: Methanesulfonic acid, 1-methylpropyl ester, (S)-
• CAS No.: 50599-13-8
• Molecular Formula: C5H12O3S
• Molecular Weight: 152.212
• European Community (EC) Number: 610-546-7
• DSSTox Substance ID: DTXSID50198643
• Nikkaji Number: J63.046B
• Wikidata: Q83071462
• Mol file: 50599-13-8.mol

Synonyms:50599-13-8;Methanesulfonic acid, 1-methylpropyl ester, (S)-;(S)-2-Butyl methanesulfonate;(+)-S-2-Butyl mesylate;[(2S)-butan-2-yl] methanesulfonate;CCRIS 2958;Methanesulfonic acid,(1S)-1-methylpropyl ester;METHANESULFONIC ACID, (1S)-1-METHYLPROPYL ESTER;SCHEMBL3582899;DTXSID50198643;(S)-1-Methylpropyl methanesulfonate;MFCD01715286;(s)-1-methylpropanol methanesulfonate;(2S)-BUTAN-2-YL METHANESULFONATE;LS-90338;Methanesulfonic acid (S)-sec-butyl ester

Chemical Property of Methanesulfonic acid, 1-methylpropyl ester, (S)-

Chemical Property:

• Vapor Pressure: 0.0714mmHg at 25°C
• Boiling Point: 236.8°Cat760mmHg
• Flash Point: 97°C
• PSA: 51.75000
• Density: 1.096g/cm³
• LogP: 1.84190
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 152.05071541
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

(1S)-1-METHYLPROPYL METHANESULFONIC ACID ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OS(=O)(=O)C
• Isomeric SMILES: CC[C@H](C)OS(=O)(=O)C

Technology Process of Methanesulfonic acid, 1-methylpropyl ester, (S)-

There total 4 articles about Methanesulfonic acid, 1-methylpropyl ester, (S)- 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: 97.0%

(S)-2-butanol (4221-99-2) + methanesulfonyl chloride (124-63-0) → S-(+)-2-butanol methanesulfonate (50599-13-8)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 7h;

Reference yield:

(2R)-butan-2-ol (14898-79-4) + methanesulfonyl chloride (124-63-0) → S-(+)-2-butanol methanesulfonate (50599-13-8)

Guidance literature:

In pyridine; at 0 ℃; for 3h;

Reference yield:

(S)-2-butanol (4221-99-2) → S-(+)-2-butanol methanesulfonate (50599-13-8)

Guidance literature:

mesylation;

DOI:10.1016/S0040-4039(01)83854-5

upstream raw materials:

(S)-2-butanol

methanesulfonyl chloride

(2R)-butan-2-ol

Downstream raw materials:

diethyl (1-methylpropyl)phosphonate

(S)-(+)-2-butyl p-tolyl sulfide

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS". Paragraph 0165; 0197. . Retrieved 2021/07/10.
• 2、 Ralph, Glenn,Biscoe, Mark R.. "Preparation of Enantioenriched Alkylcarbastannatranes via Nucleophilic Inversion of Alkyl Mesylates for Use in Stereospecific Cross-Coupling Reactions". supporting information. p. 3912 - 3915. Retrieved 2019/10/02.