2-(4-Methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2-(4-Methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate
• CAS No.: 60434-71-1
• Molecular Formula: C17H20 O6 S2
• Molecular Weight: 384.474
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID70391058
• Mol file: 60434-71-1.mol

Synonyms:60434-71-1;2-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate;(S)-(-)-1,2-Propanediol di-p-tosylate;1,2-PROPANEDIOL DITOSYLATE;propylene glycol ditosylate;SCHEMBL2337309;DTXSID70391058;FT-0605083;FT-0605192;A832726;Propane-1,2-diyl bis(4-methylbenzene-1-sulfonate);2-(p-tolylsulfonyloxy)propyl 4-methylbenzenesulfonate;1-methyl-4-({2-[(4-methylbenzenesulfonyl)oxy]propoxy}sulfonyl)benzene;4-methylbenzenesulfonic acid 2-(4-methylphenyl)sulfonyloxypropyl ester

Chemical Property of 2-(4-Methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 1.87E-11mmHg at 25°C
• Melting Point: 68-70 °C(lit.)
• Refractive Index: 1.6950 (estimate)
• Boiling Point: 546.8°C at 760 mmHg
• Flash Point: 284.5°C
• PSA: 103.50000
• Density: 1.298g/cm³
• LogP: 4.96430
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 384.07013070
• Heavy Atom Count: 25
• Complexity: 601

Purity/Quality:

97% ^*data from raw suppliers

(S)-(-)-1,2-PROPANEDIOL DI-P-TOSYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate

There total 1 articles about 2-(4-Methylphenyl)sulfonyloxypropyl 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: 58.0%

(S)-1,2-Propanediol (4254-15-3,63625-56-9) + p-toluenesulfonyl chloride (98-59-9) → (2S)-2-hydroxypropyl 4-methylbenzenesulfonate (32464-98-5) + (2S)-(-)-1,2-propanediol ditosylate (60434-71-1)

Guidance literature:

With pyridine; In dichloromethane; at -25 - 20 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tetasy.2009.09.010 DOI:10.1080/00397910903419878

Reference yield:

mesitylphosphine (68357-98-2) + (2S)-(-)-1,2-propanediol ditosylate (60434-71-1) → (1R,2R)-2-Methyl-1-(2,4,6-trimethyl-phenyl)-phosphirane + (1S,2R)-2-Methyl-1-(2,4,6-trimethyl-phenyl)-phosphirane

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo9608533

Reference yield:

(2,4,6-tri-tert-butylphenyl)phosphine (83115-12-2) + (2S)-(-)-1,2-propanediol ditosylate (60434-71-1) → C28H43O3PS

Guidance literature:

(2,4,6-tri-tert-butylphenyl)phosphine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.333333h; Inert atmosphere;

(2S)-(-)-1,2-propanediol ditosylate; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201801427

upstream raw materials:

(S)-1,2-Propanediol

p-toluenesulfonyl chloride

Downstream raw materials:

R-Prophos