2-Ethylpropane-1,3-diyl bis(4-methylbenzenesulfonate)

Base Information

• Chemical Name: 2-Ethylpropane-1,3-diyl bis(4-methylbenzenesulfonate)
• CAS No.: 24330-55-0
• Molecular Formula: C₁₉H₂₄O₆S₂
• Molecular Weight: 412.528
• DSSTox Substance ID: DTXSID001186419
• Mol file: 24330-55-0.mol

Synonyms:2-Ethylpropane-1,3-diyl bis(4-methylbenzenesulfonate);24330-55-0;2-Hydroxymethyl-1-butanol bis(4-methylphenylsulfonate);SCHEMBL10486332;DTXSID001186419;2-[(4-methylphenyl)sulfonyloxymethyl]butyl 4-methylbenzenesulfonate;AB9315;MFCD14635835;AKOS024255911;AS-44959;2-Ethylpropane-1,3-diylbis(4-methylbenzenesulfonate);1,3-Propanediol, 2-ethyl-, 1,3-bis(4-methylbenzenesulfonate);2-(([(4-Methylphenyl)sulfonyl]oxy)methyl)butyl 4-methylbenzenesulfonate #

Chemical Property of 2-Ethylpropane-1,3-diyl bis(4-methylbenzenesulfonate)

Chemical Property:

• PSA: 103.50000
• LogP: 5.60200
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 412.10143083
• Heavy Atom Count: 27
• Complexity: 575

Purity/Quality:

97% ^*data from raw suppliers

2-Ethylpropane-1,3-diylbis(4-methylbenzenesulfonate) 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(COS(=O)(=O)C1=CC=C(C=C1)C)COS(=O)(=O)C2=CC=C(C=C2)C

Technology Process of 2-Ethylpropane-1,3-diyl bis(4-methylbenzenesulfonate)

There total 5 articles about 2-Ethylpropane-1,3-diyl bis(4-methylbenzenesulfonate) 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: 64.0%

2-ethyl-1,3-propandiol (2612-29-5) + hypochlorous acid 4-methylbenzene sulfonic anhydride (103057-51-8) → 2-ethylpropane-1,3-diol di-p-toluenesulphonate (24330-55-0)

Guidance literature:

In pyridine; for 16h; Ambient temperature;

Reference yield:

2-ethyl-1,3-propandiol (2612-29-5) + p-toluenesulfonyl chloride (98-59-9) → 2-ethylpropane-1,3-diol di-p-toluenesulphonate (24330-55-0)

Guidance literature:

In pyridine;

DOI:10.1016/S0040-4020(01)87344-0

Reference yield:

ethyl diethyl malonate (133-13-1) → 2-ethylpropane-1,3-diol di-p-toluenesulphonate (24330-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / LiAlH₄ / diethyl ether / 3 h / Heating

2: 64 percent / pyridine / 16 h / Ambient temperature

With lithium aluminium tetrahydride; In pyridine; diethyl ether;

upstream raw materials:

2-ethyl-1,3-propandiol

hypochlorous acid 4-methylbenzene sulfonic anhydride

p-toluenesulfonyl chloride

ethyl diethyl malonate

Downstream raw materials:

1,1-bis(ethoxycarbonyl)-3-ethyl cyclobutane

3-ethylcyclobutane carboxylic acid

3-ethylcyclobutanecarboxylic acid chloride

1-(4'-Bromo-biphenyl-4-yl)-2-(3-ethyl-cyclobutyl)-ethanone