53910-10-4

Basic information

• Product Name: 6-IODO-3 H-ISOBENZOFURAN-1-ONE
• Synonyms: 6-IODO-3 H-ISOBENZOFURAN-1-ONE;6-IODOISOBENZOFURAN-1(3H)-ONE;6-iodo-1,3-dihydro-2-benzofuran-1-one;6-iodo-1(3H)-Isobenzofuranone;6-iodo-3H-2-benzofuran-1-one;6-Iodoisobenzofuran-1(3H)
• CAS NO: 53910-10-4
• Molecular Formula: C₈H₅IO₂
• Molecular Weight: 260.03
• Mol File: 53910-10-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 103 °C
• Boiling Point: 382.7 °C at 760 mmHg
• Flash Point: 185.3 °C
• Appearance: /
• Density: 2.029 g/cm³
• Vapor Pressure: 4.62E-06mmHg at 25°C
• Refractive Index: 1.68
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: 6-IODO-3 H-ISOBENZOFURAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-IODO-3 H-ISOBENZOFURAN-1-ONE(53910-10-4)
• EPA Substance Registry System: 6-IODO-3 H-ISOBENZOFURAN-1-ONE(53910-10-4)

Safety Data

• Hazardous Substances Data: 53910-10-4(Hazardous Substances Data)

Usage

General Description

6-Iodo-3H-isobenzofuran-1-one is a chemical compound with the molecular formula C8H5IO2. It is an organic compound that contains a unique isobenzofuranone ring system with a halogen substitution at the 6-position. 6-IODO-3 H-ISOBENZOFURAN-1-ONE is primarily used as a building block in the synthesis of various organic molecules and pharmaceuticals. It can also be used as a reagent in chemical reactions, particularly in the formation of carbon-carbon and carbon-heteroatom bonds. Its distinct structure and reactivity make 6-iodo-3H-isobenzofuran-1-one a valuable tool in organic synthesis and pharmaceutical research.

InChI:InChI=1/C8H5IO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2

Upstream product

• 57319-65-0 6-aminophthalide 
• 87-41-2 2-benzofuran-1(3H)-one 
• 610-93-5 6-nitrophthalide 

Downstream Products

• 886499-25-8 2-FORMYL-5-IODO-BENZOIC ACID 
• 374119-30-9 (S)-6-[1-carboxy-2-(3-methylphenyl)-ethylamino]-phthalide 
• 481075-47-2 6-(trifluoromethyl)isobenzofuran-1(3H)-one 

Relevant articles and documents

Discovery of potent indenoisoquinoline topoisomerase i poisons lacking the 3-nitro toxicophore

3-Nitroindenoisoquinoline human topoisomerase IB (Top1) poisons have potent antiproliferative effects on cancer cells. The undesirable nitro toxicophore could hypothetically be replaced by other functional groups that would retain the desired biological activities and minimize potential safety risks. Eleven series of indenoisoquinolines bearing 3-nitro bioisosteres were synthesized. The molecules were evaluated in the Top1-mediated DNA cleavage assay and in the National Cancer Institute's 60 cell line cytotoxicity assay. The data reveal that fluorine and chlorine may substitute for the 3-nitro group with minimal loss of Top1 poisoning activity. The new information gained from these efforts can be used to design novel indenoisoquinolines with improved safety.

Furan ring opening - Isocoumarine ring closure: A recyclization reaction of 2-carboxyaryldifurylmethanes

A general method for the synthesis of isocoumarine derivatives has been developed. Bis(5-R-2-furyl)methylbenzoic acids (R = methyl, ethyl) underwent recyclization and subsequent cyclization into tetracyclic isochromene-1-one derivatives under treatment with hydrogen chloride in methanol. It has been shown that intermediate 4-(5-R-furan-2-yl)-3-(3-oxo-3-R-propyl)-isochromene-1- ones can be obtained selectively by varying a concentration of the hydrogen chloride and reaction times. In the case of R = tert-butyl only corresponding 4-[5-(tert-butyl)-2-furyl]-3-(4,4-dimethyl-3-oxopentyl)-1-isochromenones were isolated regardless of the reaction conditions.