3,4-Di-O-(methanesulfonyl)hexitol

Base Information

• Chemical Name: 3,4-Di-O-(methanesulfonyl)hexitol
• CAS No.: 20706-72-3
• Molecular Formula: C8H18O10S2
• Molecular Weight: 338.3525
• NSC Number: 80604
• DSSTox Substance ID: DTXSID10942907

Synonyms:20706-72-3;NSC80604;NCIOpen2_009169;DTXSID10942907;3,4-Di-O-(methanesulfonyl)hexitol;NSC-80604

Chemical Property of 3,4-Di-O-(methanesulfonyl)hexitol

Chemical Property:

• Vapor Pressure: 2.88E-25mmHg at 25°C
• Boiling Point: 739.9°Cat760mmHg
• Flash Point: 401.2°C
• Density: 1.635g/cm³
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 338.03413911
• Heavy Atom Count: 20
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OC(C(CO)O)C(C(CO)O)OS(=O)(=O)C

Technology Process of 3,4-Di-O-(methanesulfonyl)hexitol

There total 2 articles about 3,4-Di-O-(methanesulfonyl)hexitol 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:

1,2:5,6-di-O-isopropylidene-3,4-di-O-methanesulfonyl-D-mannitol (20720-17-6) → 3,4-Di-O-methylsulfonyl-D-mannitol (20706-72-3)

Guidance literature:

With hydrogenchloride; In methanol; chloroform;

DOI:10.1016/S0008-6215(00)82130-8

Reference yield:

→ 3,4-Di-O-methylsulfonyl-D-mannitol (20706-72-3)

Guidance literature:

Verbindung 1, Hydrolyse (H⁺);

DOI:10.1039/c39720000019

Reference yield:

3,4-Di-O-methylsulfonyl-D-mannitol (20706-72-3) + acetic anhydride (108-24-7) → Acetic acid (1R,2R,3R,4R)-4,5-diacetoxy-1-acetoxymethyl-2,3-bis-methanesulfonyloxy-pentyl ester (20706-74-5)

Guidance literature:

With pyridine;

DOI:10.1016/S0008-6215(00)81197-0

upstream raw materials:

1,2:5,6-di-O-isopropylidene-3,4-di-O-methanesulfonyl-D-mannitol

Downstream raw materials:

Acetic acid (1R,2R,3R,4R)-4,5-diacetoxy-1-acetoxymethyl-2,3-bis-methanesulfonyloxy-pentyl ester

Acetic acid (1S,2R,3R,4R)-4-acetoxy-1-benzoylsulfanylmethyl-2,3,5-tris-methanesulfonyloxy-pentyl ester

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