1,9-Nonanediol, dimethanesulfonate

Base Information

• Chemical Name: 1,9-Nonanediol, dimethanesulfonate
• CAS No.: 4248-77-5
• Molecular Formula: C11H24O6S2
• Molecular Weight: 316.44
• NSC Number: 3052
• DSSTox Substance ID: DTXSID40195267
• Nikkaji Number: J59.352D
• Wikidata: Q83068146
• Mol file: 4248-77-5.mol

Synonyms:Nonasulphan;Nonasulfan;1,9-Nonanediol, dimethanesulfonate;1,9-Dimethanesulfonyloxynonane;Nonane-1,9-dimethanesulfonate;1,9-Di(methanesulfonoxy) nonane;4248-77-5;Nonamethylene dimethanesulfonate;CB 2067;SK 7505;9-methylsulfonyloxynonyl methanesulfonate;Nonane dimethanesulphonate;NSC 3052;Methanesulfonic acid, nonamethylene ester;1,9-NONANEDIOL DIMETHANESULFONATE;BRN 1884323;AI3-26397;Methanesulfonic acid nonamethylene ester;nonamethylene dimethanesulphonate;DTXSID40195267;NSC3052;C11H24O6S2;NSC-3052;C11-H24-O6-S2;LS-96850;9-[(Methylsulfonyl)oxy]nonyl methanesulfonate #;Methanesulfonic acid, nonamethylene ester (6CI)

Chemical Property of 1,9-Nonanediol, dimethanesulfonate

Chemical Property:

• Vapor Pressure: 4.08E-09mmHg at 25°C
• Boiling Point: 485.7°C at 760 mmHg
• Flash Point: 247.6°C
• PSA: 103.50000
• Density: 1.194g/cm³
• LogP: 3.83110
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 316.10143083
• Heavy Atom Count: 19
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A reproductive hazard.
• Hazard Codes: A reproductive hazard.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCCCCCCCCOS(=O)(=O)C

Technology Process of 1,9-Nonanediol, dimethanesulfonate

There total 1 articles about 1,9-Nonanediol, dimethanesulfonate 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: 74.0%

1,9-Nonanediol (3937-56-2) + methanesulfonyl chloride (124-63-0) → 9-(methylsulfonyloxy)nonyl methanesulfonate (4248-77-5)

Guidance literature:

With pyridine; at 0 ℃;

Reference yield: 70.0%

9-(methylsulfonyloxy)nonyl methanesulfonate (4248-77-5) → nonane (111-84-2)

Guidance literature:

With lithium; nickel dichloride; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0040-4020(99)00893-5

Reference yield:

9-(methylsulfonyloxy)nonyl methanesulfonate (4248-77-5) + trans-1-(4-Heptyloxyphenyl)-2-(4-pyridyl)ethylene (116223-48-4) → C49H68N2O2(2+)*2CH3O3S(1-)

Guidance literature:

In acetonitrile; at 50 ℃; for 72h;

upstream raw materials:

1,9-Nonanediol

methanesulfonyl chloride

Downstream raw materials:

nonane

Refernces

• 1、 Radivoy, Gabriel,Alonso, Francisco,Yus, Miguel. "Reduction of sulfonates and aromatic compounds with the NiCl2 · 2H2O- Li-arene (cat.) combination". . p. 14479 - 14490. Retrieved 2007/10/03.