151038-76-5

Basic information

• Product Name: 1-(BENZYLOXY)-2-BROMO-4-CHLOROBENZENE
• Synonyms: 1-(BENZYLOXY)-2-BROMO-4-CHLOROBENZENE
• CAS NO: 151038-76-5
• Molecular Formula: C₁₃H₁₀BrClO
• Molecular Weight: 297.578
• Mol File: 151038-76-5.mol

Chemical Properties

• Melting Point: 50-52 °C
• Boiling Point: 363.8±27.0 °C(Predicted)
• Appearance: /
• Density: 1.471±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1-(BENZYLOXY)-2-BROMO-4-CHLOROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(BENZYLOXY)-2-BROMO-4-CHLOROBENZENE(151038-76-5)
• EPA Substance Registry System: 1-(BENZYLOXY)-2-BROMO-4-CHLOROBENZENE(151038-76-5)

Safety Data

• Hazardous Substances Data: 151038-76-5(Hazardous Substances Data)

Usage

Molecular structure

A derivative of benzene with a bromine atom at the 2-position, a chlorine atom at the 4-position, and a benzyloxy group at the 1-position.

Functional groups

Benzyloxy, Bromine, and Chlorine.

Appearance

Likely a colorless to pale yellow solid or liquid, depending on the temperature and purity.

Solubility

Soluble in organic solvents such as dichloromethane, ethyl acetate, and acetone. Insoluble in water.

Stability

Stable under normal temperature and pressure, but sensitive to heat, light, and moisture.

Reactivity

Can undergo various chemical reactions such as substitution, elimination, and electrophilic aromatic substitution due to the presence of the benzene ring and functional groups.

Applications

a. Building block for the preparation of biologically active molecules and pharmaceuticals.
b. Potential use in the development of new drugs and agrochemicals.
c. Reagent in chemical reactions.
d. Starting material for the synthesis of more complex organic compounds.

Hazards

May be harmful if swallowed, inhaled, or absorbed through the skin. May cause irritation to the eyes, skin, and respiratory system.

Storage

Should be stored in a cool, dry, and well-ventilated area, away from heat, light, and sources of ignition. Keep sealed and protected from moisture.

Upstream product

• 695-96-5 2-bromo-4-chlorophenol 
• 100-39-0 benzyl bromide 
• 100-44-7 benzyl chloride 

Downstream Products

• 690261-29-1 {5'-chloro-2'-[(phenylmethyl)-oxy]-2-biphenylyl}-boronic acid 
• 690261-28-0 2'-bromo-5-chloro-2-[(phenylmethyl)-oxy]-biphenyl 
• 848188-16-9 2-[2-(2-benzyloxy-5-chloro-phenyl)-thiophen-3-yl]-6-triisopropylsilanyloxymethyl-pyridine 
• 330795-69-2 1-(5-{3-[5-chloro-2-(phenylmethoxy)phenyl](2-thienyl)}(3-pyridyl))-2,2,2-trifluoroethan-1-ol 
• 330795-74-9 5-[3-(2-benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-nicotinic acid ethyl ester 
• 330795-75-0 (5-{3-[5-chloro-2-(phenylmethoxy)phenyl]-2-thienyl}-3-pyridyl)methan-1-ol 
• 848188-19-2 5-[3-(2-benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridine-3-carbaldehyde 
• 330795-72-7 3-(2-benzyloxy-5-chloro-phenyl)-2-bromo-thiophene 
• 612832-83-4 2-benzyloxy-5-chlorophenylboronic acid 

Relevant articles and documents

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Herein we describe the medicinal chemistry programme to identify a potential back-up compound to the EP1 receptor antagonist GW848687X. This work started with the lipophilic 1,2-biaryl benzene derivative 4 which displayed molecular weight of 41

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Treatment of benzyl 2-halophenyl ethers with 3 equiv of t-BuLi results in Li-halogen exchange and lithiation at benzylic methylene simultaneously. These dianions do not undergo Wittig rearrangement and can be trapped with electrophiles. Their reactions with carboxylic esters afford the corresponding 2-aryl-3-hydroxy-2,3-dihydrobenzo[b]-furans as a mixture of diastereoisomers. Subsequent acid-catalyzed or mediated dehydration gives moderate to good overall yield of a variety of 2-aryl-3-substituted benzo[fe]-furans.

2,3-Diarylthiophenes as selective EP1 receptor antagonists

The synthesis and the EP1 receptor binding affinity of 2,3-diarylthiophene derivatives are described. The evaluation of the structure-activity relationship (SAR) in this series led to the identification of compounds 4, 7, and 12a, which exhibit high affinity for the human EP 1 receptor and a selectivity greater than 100-fold against the EP2, EP3, EP4, DP, FP, and IP receptors and greater than 25-fold versus the TP receptor. These three antagonists present good pharmacokinetics in rats and significant differences in the way they are distributed in the brain.

NOVEL COMPOUNDS

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