2-Phenoxyethyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2-Phenoxyethyl 4-methylbenzenesulfonate
• CAS No.: 43224-81-3
• Molecular Formula: C15H16O4S
• Molecular Weight: 292.356
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID20400265
• Nikkaji Number: J62.932D
• Wikidata: Q82203148
• Mol file: 43224-81-3.mol

Synonyms:2-phenoxyethyl 4-methylbenzenesulfonate;43224-81-3;2-phenoxyethyl 4-methylbenzene-1-sulfonate;2-phenoxyethyl tosylate;2-phenoxyethanol tosylate;SCHEMBL1395593;DTXSID20400265;BBL023392;STL065562;2-phenoxyethyl4-methylbenzenesulfonate;AKOS000499181;2-PHENOXYETHYL P-TOLUENESULFONATE;VS-07415;p-Toluenesulfonic acid 2-phenoxyethyl ester;CS-0317831;Ethanol, 2-phenoxy-, 4-methylbenzenesulfonate;Toluene-4-sulfonic acid, 2-phenoxy-ethyl ester;EN300-7253718;A924067

Chemical Property of 2-Phenoxyethyl 4-methylbenzenesulfonate

Chemical Property:

• Melting Point: 80 °C
• Boiling Point: 449.2±28.0 °C(Predicted)
• PSA: 60.98000
• Density: 1.224±0.06 g/cm3(Predicted)
• LogP: 3.86010
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 292.07693016
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

2-PHENOXYETHYL P-TOLUENESULFONATE AldrichCPR ^*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)OCCOC2=CC=CC=C2

Technology Process of 2-Phenoxyethyl 4-methylbenzenesulfonate

There total 3 articles about 2-Phenoxyethyl 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: 100.0%

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) + p-toluenesulfonyl chloride (98-59-9) → 2-phenoxyethanol tosylate (43224-81-3)

Guidance literature:

2-Phenoxyethanol; p-toluenesulfonyl chloride; With dmap; In dichloromethane; at 20 ℃;

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jo102358d

Reference yield:

phenol (108-95-2,27073-41-2) → 2-phenoxyethanol tosylate (43224-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 2 N aq. NaOH / 2 h / Heating

2: pyridine / 48 h / 0 - 10 °C

With pyridine; sodium hydroxide;

DOI:10.1021/jm970507t

Reference yield:

→ 2-phenoxyethanol tosylate (43224-81-3)

Guidance literature:

upstream raw materials:

2-Phenoxyethanol

p-toluenesulfonyl chloride

phenol

Downstream raw materials:

N-(2-phenoxy-ethyl)-p-toluidine

4-chloro-N-(2-phenoxyethyl)aniline

N-ethyl-N-(2-phenoxy-ethyl)-aniline

N-(2-phenoxyethyl)aniline