2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-acetamidoisoindoline-1,3-dione

Base Information

Chemical Name:2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-acetamidoisoindoline-1,3-dione
CAS No.:253168-87-5
Molecular Formula:C22H24N2O7S
Molecular Weight:460.5
Hs Code.:
DSSTox Substance ID:DTXSID801109338

Synonyms:253168-87-5;2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-acetamidoisoindoline-1,3-dione;Acetamide, N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-;N-(2-(1-(3-ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethyl)-1,3-dioxoisoindolin-5-yl)acetaMide;SCHEMBL1193708;MBKPNNHJNFQTAP-UHFFFAOYSA-N;DTXSID801109338;N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-5-yl]acetamide;N-[2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]acetamide

Suppliers and Price of 2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-acetamidoisoindoline-1,3-dione

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-acetamidoisoindoline-1,3-dione

Chemical Property:

PSA：127.46000
LogP:3.52590
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:460.13042228
Heavy Atom Count:32
Complexity:825

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C)OC

Technology Process of 2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-acetamidoisoindoline-1,3-dione

There total 4 articles about 2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-acetamidoisoindoline-1,3-dione 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: 86.0%

: 253168-94-4
2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine

: 22235-04-7
N-(1,3-dioxo-1,3-dihydroisobenzofuran-5-yl)-acetamide

: 253168-87-5
N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-5-yl)acetamide

Guidance literature:: With triethylamine; In ethyl acetate; at 80 ℃; for 12h; Sealed tube;
DOI:10.1021/acs.orglett.8b02735

Reference yield: 20.0%

: 253168-94-4
2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine

: 22235-04-7
N-(1,3-dioxo-1,3-dihydroisobenzofuran-5-yl)-acetamide

: 253168-87-5
N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-5-yl)acetamide

: 2-[1-(3-Ethoxy-4-methoxyphenyl)-2-metlylsutfonylethyl]-5-acetamidoisoindoline-1,3-dione

Guidance literature:

Reference yield:

: 4-(1-azido-2-(methylsulfonyl)ethyl)-2-ethoxy-1-methoxybenzene

: 253168-87-5
N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-5-yl)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: triphenylphosphine / water; tetrahydrofuran / 6 h / 60 °C / Sealed tube; Inert atmosphere

2: triethylamine / ethyl acetate / 12 h / 80 °C / Sealed tube

With triethylamine; triphenylphosphine; In tetrahydrofuran; water; ethyl acetate;
DOI:10.1021/acs.orglett.8b02735