1,2-Ethanediol, dibenzenesulfonate

Base Information

• Chemical Name: 1,2-Ethanediol, dibenzenesulfonate
• CAS No.: 116-50-7
• Molecular Formula: C14H14 O6 S2
• Molecular Weight: 342.394
• European Community (EC) Number: 601-434-9
• NSC Number: 3220
• UNII: 95EE3KRR9K
• DSSTox Substance ID: DTXSID70921894
• Wikidata: Q82895045
• Mol file: 116-50-7.mol

Synonyms:116-50-7;1,2-Ethanediol, dibenzenesulfonate;2-(benzenesulfonyloxy)ethyl benzenesulfonate;Ethyleneglycol dibenzenesulfonate;1,2-Ethanediol dibenzenesulfonate;NSC-3220;ethane-1,2-diyl dibenzenesulfonate;1, dibenzenesulfonate;95EE3KRR9K;SCHEMBL3449015;DTXSID70921894;NSC3220;Ethylene glycol, dibenzenesulfonate;NSC 3220;AKOS024334348;1,2-Ethanediol, 1,2-dibenzenesulfonate;2-[(phenylsulfonyl)oxy]ethyl benzenesulfonate

Chemical Property of 1,2-Ethanediol, dibenzenesulfonate

Chemical Property:

• Vapor Pressure: 2.95E-10mmHg at 25°C
• Melting Point: 49-50 °C
• Boiling Point: 516.4°Cat760mmHg
• Flash Point: 266.1°C
• PSA: 103.50000
• Density: 1.388g/cm³
• LogP: 3.95900
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 342.02318051
• Heavy Atom Count: 22
• Complexity: 467

Purity/Quality:

99.9% ^*data from raw suppliers

ETHYLENE GLYCOL BIS(BENZENESULFONATE) Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=CC=C2

Technology Process of 1,2-Ethanediol, dibenzenesulfonate

There total 5 articles about 1,2-Ethanediol, dibenzenesulfonate 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: 98.9%

ethylene glycol (107-21-1) + benzenesulfonyl chloride (98-09-9) → ethyleneglycol dibenzenesulfonate (116-50-7)

Guidance literature:

With pyridine; In chloroform; at 2 ℃; for 2h; Temperature;

Reference yield: 98.9%

benzenesulfonyl chloride (98-09-9) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → ethyleneglycol dibenzenesulfonate (116-50-7)

Guidance literature:

With pyridine; In chloroform; for 2h; Reagent/catalyst;

Reference yield:

p-toluenesulfonyl chloride (98-59-9) + 1,2-dihydroxybutane (584-03-2) → ethyleneglycol dibenzenesulfonate (116-50-7)

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 - 20 ℃; for 10h;

upstream raw materials:

ethylene glycol

benzenesulfonyl chloride

oxirane

p-toluenesulfonyl chloride

Downstream raw materials:

N¹,N¹,N²,N²-tetracyclohexylethane-1,2-diamine

[18F]2-fluoroethyl benzenesulfonate

sulphurous acid

acetaldehyde

Refernces

• 1、 -. "Synthetic method of benzenesulfonate derivative". Paragraph 0032; 0033; 0035. . Retrieved 2018/05/03.
• 2、 -. "Technology for synthesizing glycol dibenzenesulfonate from nano-solid alkali catalyst". Paragraph 0030-0037; 0052; 0056. . Retrieved 2017/08/28.