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

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

Downstream Products

• 16824-02-5 3-ethoxy-3H-isobenzofuran-1-one 
• 119-39-1 phthalazone 
• 65543-72-8 3,3'-oxy-di-phthalide 
• 119-67-5 o-carboxybenzaldehyde 
• 26486-93-1 3-hydroxy-2,3-dihydro-isoindol-1-one 
• 39878-69-8 6β-(2-phenyl-acetylamino)-penicillanic acid (Ξ)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 
• 39878-69-8 6β-(2-phenyl-acetylamino)-penicillanic acid (S)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 
• 39878-69-8 6β-(2-phenyl-acetylamino)-penicillanic acid (R)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 
• 60158-36-3 6β-(2-phenoxy-acetylamino)-penicillanic acid (Ξ)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 
• 59225-72-8 6β-((R)-2-benzylideneamino-2-phenyl-acetylamino)-penicillanic acid (Ξ)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 
• 40125-25-5 6β-[3-(2-chloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-penicillanic acid (Ξ)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 
• 47747-56-8 talampicillin 
• 62250-10-6 (6R)-3-acetoxymethyl-7t-((R)-2-tert-butoxycarbonylamino-2-phenyl-acetylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (S)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 
• 62279-76-9 (6R)-3-acetoxymethyl-7t-((R)-2-tert-butoxycarbonylamino-2-phenyl-acetylamino)-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (R)-3-oxo-1,3-dihydro-isobenzofuran-1-yl ester 

Relevant articles and documents

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.

Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction

A nickel-catalyzed asymmetric Suzuki-Miyaura cross-coupling of racemic 3-bromo-phthalides and arylboronic acids was realized for the synthesis of diverse chiral 3-aryl-phthalides in moderate to excellent reaction yields. The reaction proceeded in a stereoconvergent manner and high enantioselectivities were observed for most examined examples. A number of functional groups like aldehyde, ester and bromide were well tolerated. Heteroaromatic boronic acids were also competent coupling partners in this reaction.

Synthesis and antifungal activities of 3-substituted phthalide derivatives

In order to obtain novel bioactive compounds with significant antifungal activities, two series of 3-substituted phthalide derivatives were designed and synthesized via reduction, bromine substitution, and etherification. In addition, the antifungal activities of all target compounds against nine phytopathogenic fungi in vitro were tested by using the mycelial growth rate method at the concentration of 50 μg mL-1. Preliminary bioassay tests showed that some compounds exhibited more potent antifungal activities as compared with hymexazol. The preliminary structure-activity relationships (SARs) of all target compounds were also investigated.