2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione

Base Information

• Chemical Name: 2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione
• CAS No.: 71510-42-4
• Molecular Formula: C₁₅H₁₇NO₃
• Molecular Weight: 259.305
• DSSTox Substance ID: DTXSID70459889
• Nikkaji Number: J2.335.567A
• Wikidata: Q82283770

Synonyms:71510-42-4;2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione;2-(6-oxoheptyl)isoindole-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-(6-oxoheptyl)-;SCHEMBL10495286;DTXSID70459889;AKOS033816308;EN300-244854;Z2235790868

Chemical Property of 2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione

Chemical Property:

• PSA: 54.45000
• LogP: 2.36990
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 259.12084340
• Heavy Atom Count: 19
• Complexity: 354

Purity/Quality:

99% ^*data from raw suppliers

2-(6-Oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CCCCCN1C(=O)C2=CC=CC=C2C1=O

Technology Process of 2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione

There total 6 articles about 2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-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: 91.0%

7-bromo-2-heptanone (50775-02-5) + potassium phtalimide (1074-82-4) → 2-(6-oxoheptyl)isoindoline-1,3-dione (71510-42-4)

Guidance literature:

In N,N-dimethyl-formamide; at 65 ℃; for 4h;

DOI:10.1021/jo0487146

Reference yield: 57.0%

N-(3-butenyl)phthalimide (52898-32-5) + acetone (67-64-1) → 2-(6-oxoheptyl)isoindoline-1,3-dione (71510-42-4)

Guidance literature:

With di-tert-butyl peroxide; potassium iodide; at 130 ℃; for 8h; Sealed tube; Green chemistry;

DOI:10.1039/c7gc03745g

Reference yield:

2-((E)-6-Hydroxy-hept-4-enyl)-isoindole-1,3-dione → 2-(6-oxoheptyl)isoindoline-1,3-dione (71510-42-4)

Guidance literature:

Hoveyda-Grubbs catalyst second generation; In dichloromethane; at 200 ℃; for 7h;

DOI:10.1021/ol060918g

upstream raw materials:

sodium ethyl acetylacetate enolate

7-bromo-2-heptanone

potassium phtalimide

2-(pent-4-enyl)-isoindoline-1,3-dione

Downstream raw materials:

isophthalic acid N,N'-bis[6,6-bis(1H-pyrrol-2-yl)heptyl]amide

N,N'-bis(6-oxoheptyl)isophthalamide

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