[3,3-Dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate

Base Information

• Chemical Name: [3,3-Dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate
• CAS No.: 24330-56-1
• Molecular Formula: C₂₁H₂₈O₆S₂
• Molecular Weight: 440.582
• NSC Number: 378219
• DSSTox Substance ID: DTXSID30321578
• Wikidata: Q82079567
• Mol file: 24330-56-1.mol

Synonyms:24330-56-1;NSC 378219;NSC378219;SCHEMBL17460423;DTXSID30321578;NSC-378219;[3,3-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate

Chemical Property of [3,3-Dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 6.16E-13mmHg at 25°C
• Boiling Point: 582.2°Cat760mmHg
• Flash Point: 305.9°C
• Density: 1.216g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 440.13273096
• Heavy Atom Count: 29
• Complexity: 640

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C

Technology Process of [3,3-Dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 4-methylbenzenesulfonate

There total 3 articles about [3,3-Dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]butyl] 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:

tert-butylmalonic acid diethyl ester (759-24-0) → 2-tert-butyl-1,3-propanediol di-p-tosylate (24330-56-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) LiAlH₄, 2.) H₃O⁺ / 1.) Et₂O

2: pyridine

With lithium aluminium tetrahydride; oxonium; In pyridine;

DOI:10.1016/0022-2860(87)87063-1

Reference yield:

2-tert-butylpropane-1,3-diol (2819-05-8) + p-toluenesulfonyl chloride (98-59-9) → 2-tert-butyl-1,3-propanediol di-p-tosylate (24330-56-1)

Guidance literature:

In pyridine;

DOI:10.1016/0022-2860(87)87063-1

Reference yield:

→ 2-tert-butyl-1,3-propanediol di-p-tosylate (24330-56-1)

Guidance literature:

Entspr. Diol VI, TsCl;

upstream raw materials:

2-tert-butylpropane-1,3-diol

p-toluenesulfonyl chloride

tert-butylmalonic acid diethyl ester

Downstream raw materials:

3-t-butyl-N-(p-tolyl)azetidine

3,3-dimethyl-2-methylidene-1-N-(p-tolyl)butylamine

3-tert-butyl-cyclobutanecarboxylic acid

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