2-(3-Iodopropyl)-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 2-(3-Iodopropyl)-1H-isoindole-1,3(2H)-dione
• CAS No.: 5457-29-4
• Molecular Formula: C11H10 I N O2
• Molecular Weight: 315.11
• Hs Code.: 2925190090
• NSC Number: 24938
• DSSTox Substance ID: DTXSID60282209
• Nikkaji Number: J725.301J
• Wikidata: Q82016424
• Mol file: 5457-29-4.mol

Synonyms:Phthalimide,N-(3-iodopropyl)- (7CI,8CI); 1-Iodo-3-phthalimidopropane;N-(3-Iodo-1-propyl)phthalimide; N-(3-Iodopropyl)phthalimide; N-(g-Iodopropyl)-phthalimide; NSC24938

Chemical Property of 2-(3-Iodopropyl)-1H-isoindole-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 9.06E-06mmHg at 25°C
• Melting Point: 84-86 °C
• Boiling Point: 373.3°Cat760mmHg
• PKA: -2.19±0.20(Predicted)
• Flash Point: 179.6°C
• PSA: 37.38000
• Density: 1.795g/cm³
• LogP: 2.04560
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 314.97563
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

2-(3-IODOPROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCI

Technology Process of 2-(3-Iodopropyl)-1H-isoindole-1,3(2H)-dione

There total 20 articles about 2-(3-Iodopropyl)-1H-isoindole-1,3(2H)-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: 100.0%

2-(3-bromopropyl)isoindole-1,3-dione (5460-29-7) → N-(3-iodopropyl)phthalimide (5457-29-4)

Guidance literature:

With sodium iodide; In acetone; for 14h; Heating;

DOI:10.1021/ja0363258

Reference yield: 94.0%

N-(3-chloropropyl)phthalimide (42251-84-3) → N-(3-iodopropyl)phthalimide (5457-29-4)

Guidance literature:

With sodium iodide; In acetone; for 12h; Reflux;

Reference yield: 88.0%

3-(phthalimido)propyl-p-toluenesulfonate (88597-06-2) → N-(3-iodopropyl)phthalimide (5457-29-4)

Guidance literature:

With sodium iodide; In acetone; for 2h; Heating;

DOI:10.1016/S0040-4020(01)88659-2

upstream raw materials:

2-(3-bromopropyl)isoindole-1,3-dione

3-(phthalimido)propyl-p-toluenesulfonate

methyl iodide

phthalimide

Downstream raw materials:

2-(3-nitropropyl)isoindoline-1,3-dione

3-iodo-propylamine

benzene-1,2-dicarboxylic acid

2-ethoxycarbonyl-3-(2-phthalimidoethyl)-5-methoxyindole