41388-50-5

Basic information

• Product Name: 1-(allyloxy)-3-bromobenzene
• Synonyms: 1-(allyloxy)-3-bromobenzene
• CAS NO: 41388-50-5
• Molecular Formula: C₉H₉BrO
• Molecular Weight: 213.07116
• Mol File: 41388-50-5.mol

Chemical Properties

• Boiling Point: 246°Cat760mmHg
• Flash Point: 108.9°C
• Appearance: /
• Density: 1.35g/cm³
• Vapor Pressure: 0.0435mmHg at 25°C
• Refractive Index: 1.541
• CAS DataBase Reference: 1-(allyloxy)-3-bromobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(allyloxy)-3-bromobenzene(41388-50-5)
• EPA Substance Registry System: 1-(allyloxy)-3-bromobenzene(41388-50-5)

Safety Data

• Hazardous Substances Data: 41388-50-5(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
1-(allyloxy)-3-bromobenzene is utilized as a starting material for the preparation of various organic molecules. Its unique structure allows for a wide range of reactions, making it a valuable component in the synthesis of complex organic compounds.
Used in Pharmaceutical Production:
1-(allyloxy)-3-bromobenzene is also employed in the production of pharmaceuticals. Its ability to form carbon-carbon bonds through transition metal-catalyzed cross-coupling reactions contributes to the creation of diverse medicinal compounds.
Used in Agrochemicals:
1-(allyloxy)-3-bromobenzene finds application in the agrochemical industry, where it is used to synthesize various agrochemical products that are essential for the agricultural sector.
Used in Fine Chemicals:
Additionally, this organic compound is used in the production of fine chemicals, which are important for various industrial applications, including the fragrance, flavor, and specialty chemical industries.
Overall, 1-(allyloxy)-3-bromobenzene is a versatile and essential compound in the field of organic chemistry, with applications spanning across multiple industries.

InChI:InChI=1/C9H9BrO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2

Upstream product

• 591-20-8 3-Bromophenol 
• 556-56-9 allyl iodid 
• 760980-83-4 (Z)-1-bromo-3-(prop-1-en-1-yloxy)benzene 
• 106-95-6 allyl bromide 

Downstream Products

• 152610-12-3 2-<3-(allyloxy)benzoyl>benzoic acid 
• 41389-16-6 2-allyl-5-bromophenol 
• 41389-15-5 2-allyl-3-bromophenol 
• 126909-78-2 1-bromo-3-(cyclopropylmethoxy)benzene 
• 1446-24-8 3-allylphenol 
• 591-20-8 3-Bromophenol 
• 13849-32-6 3,4-dihydro-5-hydroxy-2H-1-benzopyran 
• 319478-14-3 5-bromochromane 
• 108-95-2 phenol 

Relevant articles and documents

Nickel Hydride Catalyzed Cleavage of Allyl Ethers Induced by Isomerization

This report discloses the deallylation of O - and N -allyl functional groups by using a combination of a Ni-H precatalyst and excess Bronsted acid. Key steps are the isomerization of the O - or N -allyl group through Ni-catalyzed double-bond migration followed by Bronsted acid induced O/N-C bond hydrolysis. A variety of functional groups are tolerated in this protocol, highlighting its synthetic value.

Imidazo ring PAR4 antagonist and medical applications thereof

The invention relates to an imidazo ring compound represented by formula (I) or formula (II), or a pharmaceutically acceptable salt or ester or solvate thereof. The compound disclosed by the inventioncan be used for preparing medicines for preventing or treating thromboembolic diseases.

ARYLPIPERAZINES

The present invention relates to arylpiperazines, and to the efficient treatment of an individual afflicted with L-DOPA-induced dyskinesia, which condition typically arises as a consequence of long-term treatment with L-DOPA therapy in Parkinson patients,

4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS

The present invention provides substituted 4,5-dihydroisoxazole derivatives of formula (I), which may be therapeutically useful, more particularly NAMPT inhibitors and in which R1 R2, Y, X, "Het" and "p" have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention of diseases or disorder caused by an elevated level of nicotinamide phosphoribosyltransferase (NAMPT) in a mammal. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of the substituted 4,5-dihydroisoxazole derivatives of formula (I) or a pharmaceutically acceptable salts or stereoisomers or N-oxide thereof.

Development of isoniazid-NAD truncated adducts embedding a lipophilic fragment as potential bi-substrate InhA inhibitors and antimycobacterial agents

Isoniazid-NAD truncated adducts embedding a lipophilic fragment were designed, synthesized and evaluated as inhibitors of the enoyl-acyl carrier protein (ACP) reductase (InhA) of Mycobacterium tuberculosis and as antimycobacterial agents. These compounds, planned as bi-substrate inhibitors and inspired from the active metabolite of isoniazid, combine both the nicotinamide moiety of the cofactor NAD and a lipophilic hydrocarbon chain mimic of the InhA substrate. The lipophilic fragment was introduced using either Suzuki-Miyaura cross-coupling or a classical nucleophilic substitution reaction. Several compounds developed in this work were indeed able to inhibit the InhA activity and showed promising antimycobacterial activities. However a direct correlation between the expressed activity and the bi-substrate mode of action could not yet be unambiguously demonstrated.

Synthesis and affninity evaluation for AT1 receptor of phenylsalicylaldoxime-derivatives structurally related to sartans

In this work we reported thy synthesis of new potential AT1 antagonists through the replacement of the biphenyltetrazole portion of the losartan with biphenylaldoximic (2) and phenylsalicylaldoximic (3a) moieties. Moreover, also the trifluoromethylpyrazol

Monoaryl-substituted salicylaldoximes as ligands for estrogen receptor β

Salicylaldoximes possess a hydrogen-bonded pseudocyclic A′ ring in place of the typical phenolic A ring that is characteristic of most estrogen receptor (ER) ligands. Monoaryl-substituted salicylaldoximes were obtained by replacing the phenol moiety (ring

1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE

The present invention provides a compound represented by the formula (1) or a pharmacologically acceptable salt thereof, or a hydrate thereof (provided that a compound in which all of R4a, R4b, and R4c are hydrogen atoms is excluded.): [wherein R1 represents a hydrogen atom, R2 represents a hydrogen atom, R3 represents the formula: wherein R4a, R4b, and R4c are the same as or different from each other and each represents a hydrogen atom, a C1-6 alkyl group or a C1-6 alkoxy group, etc.]

GLUCOCORTICOID RECEPTOR MODULATORS

Compounds of formula (I) or pharmaceutically acceptable salts thereof are novel glucocorticoid receptor modulators and are useful for treating type II diabetes in a mammal.

Thermodynamic, spectroscopic, and density functional theory studies of allyl aryl and prop-1-enyl aryl ethers. Part 1. Thermodynamic data of isomerization

A chemical equilibration study of the relative thermodynamic stabilities of seventy isomeric allyl aryl ethers (a) and (Z)-prop-1-enyl aryl ethers (b) in DMSO solution has been carried out. From the variation of the equilibrium constant with temperature the Gibbs energies, enthalpies, and entropies of isomerization at 298.15 K have been evaluated. Because of their low enthalpies, the (Z)-prop-1-enyl aryl ethers are strongly favored at equilibrium, the Gibbs energies of the a→b isomerization ranging from -12 to -23 kJ mol-1. The entropy contribution is negligible in most reactions, but occasionally small positive values less than +10 J K-1 mol-1 of the entropy of isomerization are found. The equilibration studies were also extended to involve two pairs of related isomeric ethers with a Me substituent on C(2) of the olefinic bond. The Me substituent was found to increase the relative thermodynamic stability of the allylic ethers by ca. 3.4 kJ mol-1.