trans-2-Butene-1,4-diol dimethanesulfonate

Base Information

• Chemical Name: trans-2-Butene-1,4-diol dimethanesulfonate
• CAS No.: 1953-56-6
• Molecular Formula: C₆H₁₂O₆S₂
• Molecular Weight: 244.29
• Hs Code.: 2905290000
• Nikkaji Number: J34.834A
• Mol file: 1953-56-6.mol

Synonyms:1953-56-6;trans-2-Butene-1,4-diol dimethanesulfonate;CB 2095;(E)-2-Butene-1,4-diol di(methanesulfonate);[(E)-4-methylsulfonyloxybut-2-enyl] methanesulfonate;trans-1,4-Dimethane sulfonoxy-2-butene;2-BUTENE-1,4-DIOL, DIMETHANESULFONATE, (E)-;C6-H12-O6-S2;SCHEMBL4465846;SCHEMBL6118063;C6H12O6S2;ROPXCSBPIJQJTK-ONEGZZNKSA-N;CB-2095;LS-47051;(E)-but-2-ene-1,4-diyl dimethanesulfonate;2-Butene-1,4-disulfonic acid, dimethyl ester (cis and trans)

Chemical Property of trans-2-Butene-1,4-diol dimethanesulfonate

Chemical Property:

• Vapor Pressure: 1.26E-08mmHg at 25°C
• Refractive Index: 1.5630 (estimate)
• Boiling Point: 472°Cat760mmHg
• Flash Point: 239.3°C
• PSA: 103.50000
• Density: 1.388g/cm³
• LogP: 1.65660
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 244.00753045
• Heavy Atom Count: 14
• Complexity: 328

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCC=CCOS(=O)(=O)C
• Isomeric SMILES: CS(=O)(=O)OC/C=C/COS(=O)(=O)C

Technology Process of trans-2-Butene-1,4-diol dimethanesulfonate

There total 3 articles about trans-2-Butene-1,4-diol 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: 100.0%

1,4-butenediol (6117-80-2) + methanesulfonyl chloride (124-63-0) → (Z)-but-2-ene-1,4-diyl dimethanesulfonate (1953-56-6,70886-56-5,2303-47-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

Reference yield:

trans-butene-1,4-diol (821-11-4) + methanesulfonyl chloride (124-63-0) → (E)-1,4-dimethanesulfonyloxy-2-butene (1953-56-6)

Guidance literature:

With potassium hydroxide; triethylamine; In benzene;

DOI:10.1039/j29660000237

Reference yield:

→ (E)-1,4-dimethanesulfonyloxy-2-butene (1953-56-6)

Guidance literature:

With acetonitrile;

upstream raw materials:

trans-butene-1,4-diol

methanesulfonyl chloride

1,4-butenediol

Downstream raw materials:

1,4-Bis-<4-nitro-phenoxy>-but-2t-en

(Z)-1,4-bis(4-nitrophenoxy)but-2-ene

Z-1,4-dichlorobutene

1-cyclohexyl-2,5-dihydro-1H-pyrrole