1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate

Base Information

Chemical Name:1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate
CAS No.:5746-38-3
Molecular Formula:C19H19ClO5S
Molecular Weight:243.1
Hs Code.:
DSSTox Substance ID:DTXSID80410901

Synonyms:1-(4-methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate;5746-38-3;[1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfonylpropanoate;STK257877;DTXSID80410901;AKOS003316033;AKOS022072382

Suppliers and Price of 1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate

Chemical Property:

Vapor Pressure:1.9E-13mmHg at 25°C
Boiling Point:580°Cat760mmHg
Flash Point:304.6°C
Density:1.293g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:394.0641726
Heavy Atom Count:26
Complexity:582

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate

There total 3 articles about 1-(4-Methylphenyl)-1-oxopropan-2-yl 3-[(4-chlorophenyl)sulfonyl]propanoate 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: 54.0%

: 2-(allyloxy)-4-bromo-1-methoxybenzene

: 5746-38-3
4-allyl-5-bromo-2-methoxyphenol

: 2-allyl-3-bromo-6-methoxyphenol

Guidance literature:: In 1-methyl-pyrrolidin-2-one; at 220 ℃; for 0.333333h; Microwave irradiation; Inert atmosphere;
DOI:10.1016/j.tetlet.2020.151995

Reference yield:

: 37942-01-1
5-bromo-2-methoxyphenol

: 5746-38-3
4-allyl-5-bromo-2-methoxyphenol

: 2-allyl-3-bromo-6-methoxyphenol

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.33 h / 0 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: 1-methyl-pyrrolidin-2-one / 0.33 h / 220 °C / Microwave irradiation; Inert atmosphere

With sodium hydride; In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide; 2.1: |Claisen Rearrangement;
DOI:10.1016/j.tetlet.2020.151995