4-Iodoisobenzofuran-1,3-dione

Base Information

• Chemical Name: 4-Iodoisobenzofuran-1,3-dione
• CAS No.: 28418-88-4
• Molecular Formula: C8H3IO3
• Molecular Weight: 274.015
• Hs Code.: 2932999099
• NSC Number: 135150
• DSSTox Substance ID: DTXSID70300160
• Nikkaji Number: J2.242.519F
• Wikidata: Q82043006
• Mol file: 28418-88-4.mol

Synonyms:4-iodoisobenzofuran-1,3-dione;28418-88-4;3-Iodophthalic anhydride;4-iodo-2-benzofuran-1,3-dione;MFCD08458692;4-iodo-1,3-dihydro-2-benzofuran-1,3-dione;C8H3IO3;NSC135150;iodoisobenzofuran-1,3-dione;3-iodophthalic acid anhydride;SCHEMBL551381;3-iodo-phthalic acid anhydride;4-Iodo-isobenzofuran-1,3-dione;AMY3923;DTXSID70300160;4-iodoisobenzo[b]furan-1,3-dione;BBL101983;GEO-01603;STL555780;AKOS015901276;AS-9660;NSC 135150;NSC-135150;CS-0129466;EN300-250352;A854523;W-200277;4-Iodoisobenzofuran-1,3-dione

Chemical Property of 4-Iodoisobenzofuran-1,3-dione

Chemical Property:

• Vapor Pressure: 6.55E-06mmHg at 25°C
• Melting Point: 159-161 °C
• Refractive Index: 1.707
• Boiling Point: 377.9 °C at 760 mmHg
• Flash Point: 182.3 °C
• PSA: 43.37000
• Density: 2.198 g/cm³
• LogP: 1.60180
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 273.91269
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

99.9% ^*data from raw suppliers

4-Iodoisobenzofuran-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)I)C(=O)OC2=O

Technology Process of 4-Iodoisobenzofuran-1,3-dione

There total 8 articles about 4-Iodoisobenzofuran-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: 98.0%

3-iodophthalic acid (6937-34-4) → 3-iodophthalic anhydride (28418-88-4)

Guidance literature:

With acetic anhydride; In tetrahydrofuran; at 20 - 85 ℃; for 6h;

Reference yield: 79.0%

1-iodo-2,3-dimethylbenzene (31599-60-7) → 3-iodophthalic anhydride (28418-88-4)

Guidance literature:

1-iodo-2,3-dimethylbenzene; With pyridine; potassium permanganate; In water; for 24h; Reflux;

With acetic anhydride; for 22h; Reflux;

DOI:10.1016/j.ejmech.2021.113353

Reference yield:

3-iodo-2-isobutoxycarbonyl benzoic acid → 3-iodophthalic anhydride (28418-88-4)

Guidance literature:

With hydrogenchloride; acetic anhydride; In potassium hydroxide; toluene;

upstream raw materials:

3-iodophthalic acid

1-iodo-2,3-dimethylbenzene

3-aminophthalic acid

3-iodo-phthalic acid diethyl ester

Downstream raw materials:

3-iodo-N-(4-heptafluoroisopropyl-2-methylphenyl)phthalimide

Refernces

• 1、 -. "Preparation method of intermediate containing halogenated benzene ring side-chain flubendiamide structure". Paragraph 0034; 0036; 0041; 0043; 0047; 0049; 0053; 0055. . Retrieved 2019/01/08.
• 2、 Chen, Youwei,Li, Yuxin,Pan, Li,Liu, Jingbo,Wan, Yingying,Chen, Wei,Xiong, Lixia,Yang, Na,Song, Haibin,Li, Zhengming. "Synthesis, insecticidal activities and SAR of novel phthalamides targeting calcium channel". . p. 6366 - 6379. Retrieved 2015/01/09.