2-Butyl-2,3-dihydro-1H-isoindol-1-one

Base Information

Chemical Name:2-Butyl-2,3-dihydro-1H-isoindol-1-one
CAS No.:50707-36-3
Molecular Formula:C12H15NO
Molecular Weight:189.257
Hs Code.:
ChEMBL ID:CHEMBL311961
DSSTox Substance ID:DTXSID40516711
Nikkaji Number:J3.502.553G
Wikidata:Q82378251
Mol file:50707-36-3.mol

Synonyms:50707-36-3;2-Butyl-2,3-dihydro-1H-isoindol-1-one;CHEMBL311961;SCHEMBL22291829;DTXSID40516711

Suppliers and Price of 2-Butyl-2,3-dihydro-1H-isoindol-1-one

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

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Chemical Property of 2-Butyl-2,3-dihydro-1H-isoindol-1-one

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:189.115364102
Heavy Atom Count:14
Complexity:214

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCN1CC2=CC=CC=C2C1=O

Technology Process of 2-Butyl-2,3-dihydro-1H-isoindol-1-one

There total 2 articles about 2-Butyl-2,3-dihydro-1H-isoindol-1-one 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: 42.0%

: 201230-82-2
carbon monoxide

: 1-butyl-1-(o-iodobenzyl)-3-phenyl urea

: 50707-36-3
2-butyl-2,3-dihydro-isoindol-1-one

: 103-71-9
phenyl isocyanate

: 4-butyl-2-phenyl-2,3,4,5-tetrahydro-1H-2,4-benzodiazepine-1,3-dione

Guidance literature:: With potassium acetate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In various solvent(s); at 80 ℃; for 3h; Yields of byproduct given;
DOI:10.1016/S0040-4039(99)00232-4

Reference yield: 26.0%

: 20138-24-3
2-n-butylisoindoline

: 1515-72-6
N-butylphthalimide

: 50707-36-3
2-butyl-2,3-dihydro-isoindol-1-one

Guidance literature:: With N-hydroxyphthalimide; In pyridine; anodic oxidation;

Reference yield: 63.0%

: 108-86-1,52753-63-6
bromobenzene

: 50707-36-3
2-butyl-2,3-dihydro-isoindol-1-one

: 3-benzyl-2-butylisoindolin-1-one

Guidance literature:: 2-butyl-2,3-dihydro-isoindol-1-one; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.25h; Inert atmosphere;

bromobenzene; at -78 - 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/acs.joc.8b02862