2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate

Base Information

Chemical Name:2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate
CAS No.:115397-98-3
Molecular Formula:C17H15NO3
Molecular Weight:281.311
Hs Code.:
DSSTox Substance ID:DTXSID40396535
ChEMBL ID:CHEMBL1422142
Mol file:115397-98-3.mol

Synonyms:115397-98-3;2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate;(2-benzyl-3-oxo-1H-isoindol-1-yl) acetate;MS-2764;MLS000522557;CHEMBL1422142;DTXSID40396535;HMS1627G12;HMS2243F05;AKOS016339561;SMR000127824;SR-01000097834;SR-01000097834-1

Suppliers and Price of 2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate

Supply Marketing:

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

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Chemical Property of 2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:281.10519334
Heavy Atom Count:21
Complexity:403

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Technology Process of 2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate

There total 3 articles about 2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl 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: 94.0%

: 17448-14-5
2-benzyl-3-hydroxy-2,3-dihydro-isoindol-1-one

: 108-24-7
acetic anhydride

: 115397-98-3
2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 20 ℃; for 12h;
DOI:10.1021/jo062077x

Reference yield: 50.0%

: 2142-01-0
N-benzylphthalimide

: 108-24-7
acetic anhydride

: 115397-98-3
2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate

Guidance literature:: N-benzylphthalimide; With lithium triethylborohydride; In tetrahydrofuran; dichloromethane; at -78 ℃;

acetic anhydride; In tetrahydrofuran; dichloromethane; at -78 - 20 ℃;
DOI:10.1055/s-2006-926318

Reference yield:

: 2142-01-0
N-benzylphthalimide

: 115397-98-3
2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / methanol / -5 - 0 °C

2: 94 percent / Et₃N; DMAP / CH₂Cl₂ / 12 h / 20 °C

With dmap; sodium tetrahydroborate; triethylamine; In methanol; dichloromethane;
DOI:10.1021/jo062077x