(4-Methylphenyl)sulfonyl acetate

Base Information

• Chemical Name: (4-Methylphenyl)sulfonyl acetate
• CAS No.: 26908-82-7
• Molecular Formula: C9H10O4S
• Molecular Weight: 214.242
• NSC Number: 158268
• DSSTox Substance ID: DTXSID70303414
• Nikkaji Number: J3.518.229B
• Wikidata: Q72495263
• Mol file: 26908-82-7.mol

Synonyms:(4-methylphenyl)sulfonyl acetate;26908-82-7;Acetic 4-methylbenzenesulfonic anhydride;Tosyl Acetate;NSC158268;starbld0046716;acetyl p-toluene sulfonate;SCHEMBL443434;DTXSID70303414;Acetic p-Toluenesulfonic Anhydride;UOAJUPONZOXFNX-UHFFFAOYSA-N;4-METHYLBENZENESULFONYL ACETATE;NSC-158268

Chemical Property of (4-Methylphenyl)sulfonyl acetate

Chemical Property:

• Vapor Pressure: 0.000227mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 325.7 °C at 760 mmHg
• Flash Point: 150.8 °C
• PSA: 68.82000
• Density: 1.279 g/cm³
• LogP: 2.32760
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.02997997
• Heavy Atom Count: 14
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

(4-Methylbenzene)sulfonylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C

Technology Process of (4-Methylphenyl)sulfonyl acetate

There total 8 articles about (4-Methylphenyl)sulfonyl acetate 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: 95.0%

tetrabutylammonium acetate (10534-59-5) + p-toluenesulfonyl chloride (98-59-9) → acetyl p-toluenesulfonate (26908-82-7)

Guidance literature:

In dichloromethane; for 4h;

Reference yield:

acetic anhydride (108-24-7) + toluene-4-sulfonic acid (104-15-4) → acetyl p-toluenesulfonate (26908-82-7) + p-toluenesulfonylanhydride (4124-41-8) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

In luene; at 130 ℃; for 1h; Product distribution / selectivity;

Reference yield:

toluene-4-sulfonic acid (104-15-4) + acetyl chloride (75-36-5) → acetyl p-toluenesulfonate (26908-82-7) + p-toluenesulfonylanhydride (4124-41-8)

Guidance literature:

for 5h; Product distribution / selectivity; Heating / reflux;

upstream raw materials:

sodium acetate

p-toluenesulfonyl chloride

toluene-4-sulfonic acid

acetyl chloride

Downstream raw materials:

ethyl acetate

1-(4-phenylfuran-2-yl)ethanone

4,4'-Dimethoxy-β-methylchalcon

Isopropyl acetate

Refernces

• 1、 -. "SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS". Page/Page column 20. . Retrieved 2008/06/13.
• 2、 Suzuki, Takayoshi,Fuchii, Hideyuki,Takayama, Hiroaki. "SYNTHESES OF 2-SUBSTITUTED FURAN-ANNULATED 3-SULFOLENES AND THEIR DIELS-ALDER REACTIONS". . p. 57 - 61. Retrieved 2007/10/02.