220513-49-5

Basic information

• Product Name: ISOBENZOFURAN, 5-BROMO-1,3-DIHYDRO-
• Synonyms: ISOBENZOFURAN, 5-BROMO-1,3-DIHYDRO-;5-Bromo-1,3-dihydro-isobenzofuran;5-bromo-1,3-dihydro-2-benzofuran
• CAS NO: 220513-49-5
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.04
• Mol File: 220513-49-5.mol

Chemical Properties

• Boiling Point: 257.183°C at 760 mmHg
• Flash Point: 101.866°C
• Appearance: /
• Density: 1.583g/cm³
• Vapor Pressure: 0.024mmHg at 25°C
• Refractive Index: 1.602
• CAS DataBase Reference: ISOBENZOFURAN, 5-BROMO-1,3-DIHYDRO-(CAS DataBase Reference)
• NIST Chemistry Reference: ISOBENZOFURAN, 5-BROMO-1,3-DIHYDRO-(220513-49-5)
• EPA Substance Registry System: ISOBENZOFURAN, 5-BROMO-1,3-DIHYDRO-(220513-49-5)

Safety Data

• Hazardous Substances Data: 220513-49-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
ISOBENZOFURAN, 5-BROMO-1,3-DIHYDROis used as an intermediate in the synthesis of various pharmaceuticals for its ability to act as a building block for drugs and bioactive molecules.
Used in Agrochemical Industry:
ISOBENZOFURAN, 5-BROMO-1,3-DIHYDROis used as an intermediate in the synthesis of agrochemicals, contributing to the development of effective crop protection products.
Used in Perfume and Flavor Industry:
ISOBENZOFURAN, 5-BROMO-1,3-DIHYDROis used as a component in the production of perfumes and flavors, enhancing the variety and complexity of scents and tastes.
Used in Organic Synthesis:
ISOBENZOFURAN, 5-BROMO-1,3-DIHYDROis used as a valuable compound in organic synthesis due to its strong reactive property, enabling the creation of a wide range of chemical products.

InChI:InChI=1/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2

Upstream product

• 13209-32-0 4-bromophthalaldehyde 
• 64169-34-2 5-bromophthalide 
• 171011-37-3 4-bromo-2-(hydroxymethyl)benzyl alcohol 
• 86-90-8 4-bromophthalic anhydride 
• 61964-08-7 1,3-dihydro-isobenzofuran-5-ylamine 

Downstream Products

• 64169-34-2 5-bromophthalide 
• 89424-83-9 1,3-dihydroisobenzofuran-5-carbaldehyde 

Relevant articles and documents

Optimization of Orally Bioavailable PI3KδInhibitors and Identification of Vps34 as a Key Selectivity Target

Optimization of a lead series of PI3Kδinhibitors based on a dihydroisobenzofuran core led to the identification of potent, orally bioavailable compound 19. Selectivity profiling of compound 19 showed similar potency for class III PI3K, Vps34, and PI3Kδ, and compound 19 was not well-tolerated in a 7-day rat toxicity study. Structure-based design led to an improvement in selectivity for PI3Kδover Vps34 and, a focus on oral phramacokinetics properties resulted in the discovery of compound 41, which showed improved toxicological outcomes at similar exposure levels to compound 19.

Site-Selective Functionalization of (sp3)C?H Bonds Catalyzed by Artificial Metalloenzymes Containing an Iridium-Porphyrin Cofactor

The selective functionalization of one C?H bond over others in nearly identical steric and electronic environments can facilitate the construction of complex molecules. We report site-selective functionalizations of C?H bonds, differentiated solely by rem

COMPOUNDS AND COMPOSITIONS AND USES THEREOF

Disclosed are compounds of formula (I): and pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disease and disorders in a subject in need are also disclosed.

SUBSTITUTED BENZAZINONES AS ANTIBACTERIAL COMPOUNDS

The present invention relates to LpxC antibacterial compounds of Formula (1A), corresponding pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions:, compound preparation, treatment methods and uses for bacterial infections, especially those caused by gram-negative bacteria.

PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME

Provided herein are pyrazole compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of MAGL and/or ABHD6. Furthermore, the subject compounds and compositions are useful for the treatment of, for example, pain.

SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME

Provided herein are spirocycle compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful as modulators of MAGL and/or ABHD6. Furthermore, the subject compounds and compositions are useful for the treatment of pain.

Lewis acid promoted ruthenium(II)-catalyzed etherifications by selective hydrogenation of carboxylic acids/esters

Ethers are of fundamental importance in organic chemistry and they are an integral part of valuable flavors, fragrances, and numerous bioactive compounds. In general, the reduction of esters constitutes the most straightforward preparation of ethers. Unfortunately, this transformation requires large amounts of metal hydrides. Presented herein is a bifunctional catalyst system, consisting of Ru/phosphine complex and aluminum triflate, which allows selective synthesis of ethers by hydrogenation of esters or carboxylic acids. Different lactones were reduced in good yields to the desired products. Even challenging aromatic and aliphatic esters were reduced to the desired products. Notably, the in situ formed catalyst can be reused several times without any significant loss of activity. An assist from Al: A bifunctional catalyst system consisting of a Ru/phosphine complex and aluminum triflate allows selective hydrogenation of esters to ethers. A variety of lactones were reduced to the desired products in good yields. The catalyst further provides a general method for the reduction of linear esters and reductive etherification of carboxylic acids with alcohols.

Selective lithiation of 4- and 5-halophthalans

The reaction of 4- and 5-halophthalans 5 with lithium and a catalytic amount of DTBB at -78 °C leads to the formation of the corresponding functionalized organolithium intermediates 6 and 11, which by reaction with carbonyl compounds give, after hydrolysis, the expected substituted phthalans 8 and 13, respectively. When after reaction with the carbonyl compound the system is allowed to react at 0 °C, a second lithiation occur: A reductive opening of the heterocycle takes place with some regioselectivity leading to new organolithium intermediates 9 and 14/15 that by reaction with electrophiles lead, after hydrolysis, to polyfunctionalized molecules 10 and 16/17, respectively.