6940-49-4

Basic information

• Product Name: 3-Bromophthalide
• Synonyms: 3-BROMO-1(3H)-ISOBENZOFURANONE;3-BROMOPHTHALIDE;3-bromo-1(3h)-isobenzofuranon;3-Bromophtalide;3-Bromophthalide97%;1(3H)-Isobenzofuranone, 3-bromo-;BROMOPHTHALIDE;3-BROMOPHTHALIDE 98+%
• CAS NO: 6940-49-4
• Molecular Formula: C₈H₅BrO₂
• Molecular Weight: 213.03
• EINECS: 230-084-6
• Product Categories: Phthalides
• Mol File: 6940-49-4.mol
• Article Data: 26

Chemical Properties

• Melting Point: 86°C
• Boiling Point: 138 °C / 3mmHg
• Flash Point: 139.4 °C
• Appearance: Light yellow solid
• Density: 1.768 g/cm³
• Vapor Pressure: 0.000751mmHg at 25°C
• Refractive Index: 1.639
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: soluble in Methanol
• CAS DataBase Reference: 3-Bromophthalide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromophthalide(6940-49-4)
• EPA Substance Registry System: 3-Bromophthalide(6940-49-4)

Safety Data

• Statements: 38-41
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 6940-49-4(Hazardous Substances Data)

Usage

General Description

3-Bromophthalide is a chemical compound consisting of a bromine-substituted derivative of phthalide, which is a cyclic compound containing two carbonyl groups. It is often used as a building block in the synthesis of various organic compounds, and it exhibits potential medicinal properties. 3-Bromophthalide has been studied for its anti-inflammatory and anti-tumor activities, indicating its potential for the development of new drugs. It has also been investigated for its potential as a photo-responsive material in optoelectronic devices due to its unique physical and chemical properties. Overall, 3-Bromophthalide is a versatile compound with potential applications in both pharmaceutical and materials science.

InChI:InChI=1/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H

Upstream product

• 7726-95-6 bromine 
• 643-79-8 o-phthalic dicarboxaldehyde 
• 65-85-0 benzoic acid 
• 6295-21-2 3-chloro-1(3H)-isobenzofuranone 
• 85-44-9 phthalic anhydride 
• 118-90-1 ortho-methylbenzoic acid 
• 87-41-2 2-benzofuran-1(3H)-one 
• 764-28-3 (E)-3,3'-(diazene-1,2-diyl)bis(2-methylpropanenitrile) 
• 144-55-8 sodium hydrogencarbonate 

Downstream Products

• 65543-72-8 3,3'-oxy-di-phthalide 
• 119-67-5 o-carboxybenzaldehyde 
• 1308660-42-5 6-(4-methoxybenzyl)-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione 
• 1426431-45-9 6-(4-methylphenyl)-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione 
• 1308660-43-6 6-(4-chlorobenzyl)-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione 
• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 
• 3413-15-8 butylphthalide 
• 612-14-6 phthalyl alcohol 
• 643-79-8 o-phthalic dicarboxaldehyde 
• 5398-11-8 3‐phenylisobenzofuran‐1(3H)‐one 
• 5398-11-8 (S)-3-phenyl-1,3-dihydro-2-benzofuran-1-one 

Relevant articles and documents

Chiral Bicyclic Imidazole-Catalyzed Acylative Dynamic Kinetic Resolution for the Synthesis of Chiral Phthalidyl Esters

Utilizing a chiral bicyclic imidazole organocatalyst and adopting a continuous injection process, an alternative route has been developed for the efficient synthesis of chiral phthalidyl ester prodrugs via dynamic kinetic resolution of 3-hydroxyphthalides through enantioselective acylation (up to 99 % ee). The computational studies suggest a general base catalytic mechanism differing from the widely accepted nucleophilic catalytic mechanism. The structure analysis of the key transition states shows that the CH-π interactions and not the previously considered cation/π-π interactions between the catalyst and substrate is the dominant factor giving rise to the observed stereocontrol.

NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS

The present invention provides novel poly(ADP-ribose) polymerase (PARP) inhibitors, methods of preparing them, pharmaceutical compositions containing them and methods for the treatment, prevention and/or amelioration of PARP mediated diseases or disorders using them. In particular, the compounds described herein are useful for the treatment of carcinoma of the breast, ovarian cancer, carcinoma of the liver, carcinoma of the lung, small cell lung cancer, esophageal cancer, gall bladder cancer, pancreatic cancer and stomach cancer.

Industrial synthesis method of o-aldehyde phenyl fatty acid

The invention provides an industrial synthesis method of o-aldehyde phenyl fatty acid, which comprises the following steps: by using aromatic lactone or o-methylphenyl fatty acid as a raw material, carrying out halogenation reaction and hydrolysis to obtain the o-aldehyde phenyl fatty acid. In the method, halogen is used in the production process; however, if haloid acid or haloid salt formed byhydrolysis is directly discharged to the environment, the cost of a halogen source accounts for most of the cost of the whole process, and severe environmental pollution is caused; by means of the method, an activated halogen source can be obtained in real time by adding a specific oxidant in the reaction process, so that the closed cycle of halogen elements is realized by means of the subsequenthydrolysis process; therefore, a large amount of raw material cost is saved on the whole, environmental pollution is reduced, the product yield is high, and large-scale production is facilitated.