2-(4-Iodobutyl)-1h-isoindole-1,3(2h)-dione

Base Information

• Chemical Name: 2-(4-Iodobutyl)-1h-isoindole-1,3(2h)-dione
• CAS No.: 5457-30-7
• Molecular Formula: C12H12 I N O2
• Molecular Weight: 329.137
• Hs Code.: 2925190090
• NSC Number: 24941
• DSSTox Substance ID: DTXSID70282210
• Nikkaji Number: J725.302H
• Wikidata: Q82016425
• Mol file: 5457-30-7.mol

Synonyms:5457-30-7;2-(4-iodobutyl)-1h-isoindole-1,3(2h)-dione;2-(4-iodobutyl)isoindole-1,3-dione;N-(4-iodobutyl)phthalimide;2-(4-IODO-BUTYL)-ISOINDOLE-1,3-DIONE;2-(4-Iodobutyl)isoindoline-1,3-dione;2-(4-Iodobutyl) isoindoline-1,3-dione;NSC24941;SCHEMBL6575878;DTXSID70282210;NSC 24941;NSC-24941;AKOS024342444;AT29524;BS-52626;CS-0199442;A1-00177

Chemical Property of 2-(4-Iodobutyl)-1h-isoindole-1,3(2h)-dione

Chemical Property:

• Vapor Pressure: 2.88E-06mmHg at 25°C
• Boiling Point: 389.3°C at 760 mmHg
• Flash Point: 189.2°C
• PSA: 37.38000
• Density: 1.714g/cm³
• LogP: 2.43570
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 328.99128
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Iodobutyl)isoindoline-1,3-dione 96% ^*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)CCCCI

Technology Process of 2-(4-Iodobutyl)-1h-isoindole-1,3(2h)-dione

There total 15 articles about 2-(4-Iodobutyl)-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-(4-bromobutyl)isoindoline-1,3-dione (5394-18-3) → 4-phthalimido-1-iodobutane (5457-30-7)

Guidance literature:

With sodium iodide; In acetone; for 6h; Reflux;

DOI:10.1039/c7ob01232b

Reference yield: 93.0%

4-(1,3-dioxoisoindolin-2-yl)butyl methanesulfonate → 4-phthalimido-1-iodobutane (5457-30-7)

Guidance literature:

With sodium iodide; In acetone; at 58 ℃; for 2h;

Reference yield: 90.4%

N-(4-hydroxy-1-butyl)phthalimide tosylate (86088-65-5) → 4-phthalimido-1-iodobutane (5457-30-7)

Guidance literature:

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

DOI:10.1021/ja00354a047

upstream raw materials:

1,4-Diiodobutane

potassium phtalimide

2-(4-chlorobutyl)isoindoline-1,3-dione

2-(4-bromobutyl)isoindoline-1,3-dione

Downstream raw materials:

DL-α-Methyllysin

2,6-diaminocaproic acid

Refernces

• 1、 Ai, Han-Jun,Rabeah, Jabor,Brückner, Angelika,Wu, Xiao-Feng. "Rhodium-catalyzed carbonylative coupling of alkyl halides with thiols: a radical process faster than easier nucleophilic substitution". supporting information. p. 1466 - 1469. Retrieved 2021/02/21.
• 2、 Xu, Meng-Yu,Jiang, Wei-Tao,Li, Ying,Xu, Qing-Hao,Zhou, Qiao-Lan,Yang, Shuo,Xiao, Bin. "Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp2-sp3 Cross-Coupling". supporting information. p. 7582 - 7588. Retrieved 2019/05/16.