ISOPROPYL METHANESULFONATE

Base Information

• Chemical Name: ISOPROPYL METHANESULFONATE
• CAS No.: 926-06-7
• Molecular Formula: C4H10 O3 S
• Molecular Weight: 138.188
• Hs Code.: 29309090
• European Community (EC) Number: 213-132-0
• UNII: T0K2TXY26B
• DSSTox Substance ID: DTXSID8031497
• Nikkaji Number: J3.348K
• Wikidata: Q27289509
• ChEMBL ID: CHEMBL1320187
• Mol file: 926-06-7.mol

Synonyms:Methanesulfonicacid, isopropyl ester (6CI,7CI,8CI); 2-Propyl methanesulfonate; Isopropylmesylate; Isopropyl methanesulfonate; Isopropyl methanesulphonate

Chemical Property of ISOPROPYL METHANESULFONATE

Chemical Property:

• Appearance/Colour: clear, colorless liquid.
• Vapor Pressure: 0.171mmHg at 25°C
• Melting Point: 7°C(lit.)
• Refractive Index: 1.418-1.421
• Boiling Point: 82 °C (6 mmHg)
• Flash Point: 104 °C
• PSA: 51.75000
• Density: 1.145
• LogP: 1.45180
• Storage Temp.: 0-6°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 138.03506535
• Heavy Atom Count: 8
• Complexity: 139

Purity/Quality:

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

Isopropyl Methanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 68-40-34-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CC(C)OS(=O)(=O)C

Technology Process of ISOPROPYL METHANESULFONATE

There total 6 articles about ISOPROPYL 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: 100.0%

→ isopropyl methanesulfonate (926-06-7)

Guidance literature:

Reference yield: 94.0%

methanesulfonyl chloride (124-63-0) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl methanesulfonate (926-06-7)

Guidance literature:

With sodium hydroxide; potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate; In benzene; at 15 - 20 ℃; for 1h;

DOI:10.1055/s-1981-29374

Reference yield:

O,O-diethyl S-methyl phosphorothioate (2404-05-9) + isopropyl alcohol (67-63-0,8013-70-5) → methanesulfonic acid (75-75-2,98527-29-8) + Diethyl phosphate (598-02-7) + diethyl 2-propyl phosphate (2736-99-4) + isopropyl methanesulfonate (926-06-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

upstream raw materials:

methanesulfonic acid

propene

sodium isopropylate

methanesulfonyl chloride

Downstream raw materials:

isopropyl ethanesulfonate

2-hydroxy-2-(4-nitrophenyl)ethanesulfonic acid isopropyl ester

isopropyl (E)-3,3-difluoro-2-[(4-methoxyphenyl)imino]-5-hexenoate

5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester

Refernces

• 1、 -. "PROCESS FOR PREPARATION OF ALKYL METHANESULFONATE SOLUTION". Paragraph 0028; 0029. . Retrieved 2013/03/26.
• 2、 -. "HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS". Page/Page column 70. . Retrieved 2008/06/13.