1,8-Octanediol, dimethanesulfonate

Base Information

• Chemical Name: 1,8-Octanediol, dimethanesulfonate
• CAS No.: 15886-83-6
• Molecular Formula: C10H22 O6 S2
• Molecular Weight: 302.413
• NSC Number: 176051
• DSSTox Substance ID: DTXSID00936012
• Nikkaji Number: J392.734B
• Mol file: 15886-83-6.mol

Synonyms:Octasulfan;Octasulphan;Octane dimethanesulphonate;1,8-Octanediol, dimethanesulfonate;NSC 176051;15886-83-6;BRN 2124727;octane-1,8-diyl dimethanesulfonate;NSC176051;SCHEMBL4298840;DTXSID00936012;1,8-bis-(methanesulfonyloxy)octane;1,8-Octanediol di(methanesulfonate);NSC-176051;LS-97890

Chemical Property of 1,8-Octanediol, dimethanesulfonate

Chemical Property:

• Vapor Pressure: 2.87E-09mmHg at 25°C
• Refractive Index: 1.471
• Boiling Point: 489.9°C at 760 mmHg
• Flash Point: 250.1°C
• Density: 1.217g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 302.08578076
• Heavy Atom Count: 18
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,8-Octanediol, dimethanesulfonate

There total 1 articles about 1,8-Octanediol, 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: 95.0%

1,8-Octanediol (629-41-4) + methanesulfonyl chloride (124-63-0) → octane-1,14-diol dimesylate (15886-83-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tet.2005.10.003

Reference yield: 38.0%

1-undecen-11-ylbromide (7766-50-9) + octane-1,14-diol dimesylate (15886-83-6) → nonadec-18-en-1-ol mesylate (875753-70-1)

Guidance literature:

1-undecen-11-ylbromide; With magnesium; In tetrahydrofuran; at 20 ℃;

octane-1,14-diol dimesylate; With dilithium tetrachlorocuprate; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.tet.2005.10.003

Reference yield:

octane-1,14-diol dimesylate (15886-83-6) → 13-Bromo-1-tridecene (16339-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium / diethyl ether / 20 °C

1.2: 41 percent / Li₂CuCl₄ / tetrahydrofuran; diethyl ether / 0 °C

2.1: LiBr / acetone / Heating

With magnesium; lithium bromide; In diethyl ether; acetone;

DOI:10.1016/j.tet.2005.10.003

upstream raw materials:

1,8-Octanediol

methanesulfonyl chloride

Downstream raw materials:

nonadec-18-en-1-ol mesylate

13-Bromo-1-tridecene

Refernces

• 1、 Cheng, P.,Blumstein, A.,Subramanyam, S.. "Novel Ion Containing Liquid Crystals and Liquid Crystalline Main Chain Polymers Based on Trans-1,2-Bis(4-Pyridyl Ethylene) Mesogen". . p. 1 - 38. Retrieved 2007/10/02.