2,5-HEXANEDIOL, DIMETHANESULFONATE, meso-

Base Information

• Chemical Name: 2,5-HEXANEDIOL, DIMETHANESULFONATE, meso-
• CAS No.: 33447-90-4
• Molecular Formula: C8H18O6S2
• Molecular Weight: 274.38
• DSSTox Substance ID: DTXSID90955075
• Nikkaji Number: J774.650D

Synonyms:meso-Dimethylmyleran;meso-Dimethylbusulfan;33447-90-4;meso-2,5-Hexanediol, dimesylate;NSC 232201;2,5-Hexanediol, dimethanesulfonate, (R*,S*)-;2,5-HEXANEDIOL, DIMETHANESULFONATE, meso-;SCHEMBL5280109;DTXSID90955075;2,5-Hexanediol, dimethanesulfonate, (2R,5S)-;Bis(methanesulfonic acid)(2S,5S)-hexane-2,5-diyl ester

Chemical Property of 2,5-HEXANEDIOL, DIMETHANESULFONATE, meso-

Chemical Property:

• Vapor Pressure: 3.36E-08mmHg at 25°C
• Boiling Point: 459.8°C at 760 mmHg
• Flash Point: 231.9°C
• Density: 1.269g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 274.05448064
• Heavy Atom Count: 16
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-HEXANEDIOL, DIMETHANESULFONATE, meso-

There total 11 articles about 2,5-HEXANEDIOL, DIMETHANESULFONATE, meso- 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:

hexane-2,5-diol (2935-44-6) + methanesulfonyl chloride (124-63-0) → meso-2,5-hexanediol dimethanesulfonate (33447-90-4) + d,l-2,5-hexanediol dimethanesulfonate (55-93-6,33447-90-4,33447-91-5,119008-52-5,129705-31-3)

Guidance literature:

With triethylamine; In dichloromethane; at -20 - 0 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0957-4166(00)80066-X

Reference yield:

hexane-2,5-diol (2935-44-6) + methanesulfonyl chloride (124-63-0) → meso-2,5-hexanediol dimethanesulfonate (33447-90-4) + d,l-2,5-hexanediol dimethanesulfonate (55-93-6,33447-90-4,33447-91-5,119008-52-5,129705-31-3)

Guidance literature:

With triethylamine; In dichloromethane; at -20 - 0 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0957-4166(00)80066-X

Reference yield:

hexane-2,5-diol (2935-44-6) → meso-2,5-hexanediol dimethanesulfonate (33447-90-4)

Guidance literature:

Multi-step reaction with 3 steps

2: (saponification)

3: Py

With pyridine;

DOI:10.1039/P19720002460

upstream raw materials:

(2R,5S)-hexanediol

methanesulfonyl chloride

O¹,O⁶-bis-methanesulfonyl-2,3;4,5-dianhydro-allitol

hexane-2,5-diol

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