18184-69-5

Basic information

• Product Name: 1-Bromo-3-(ethylsulfanyl)benzene
• Synonyms: 1-Bromo-3-(ethylsulfanyl)benzene;3-Bromo-1-ethanesulfanylbenzene
• CAS NO: 18184-69-5
• Molecular Formula: C₈H₉BrS
• Molecular Weight: 217.12606
• Mol File: 18184-69-5.mol

Chemical Properties

• Boiling Point: 254.7°C at 760 mmHg
• Flash Point: 107.8°C
• Appearance: /
• Density: 1.44g/cm³
• Vapor Pressure: 0.0272mmHg at 25°C
• Refractive Index: 1.606
• Storage Temp.: Room temperature.
• CAS DataBase Reference: 1-Bromo-3-(ethylsulfanyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Bromo-3-(ethylsulfanyl)benzene(18184-69-5)
• EPA Substance Registry System: 1-Bromo-3-(ethylsulfanyl)benzene(18184-69-5)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 18184-69-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
1-Bromo-3-(ethylsulfanyl)benzene is used as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals for its ability to contribute to the development of new and effective products.
Used in Organic and Medicinal Chemistry Research:
1-Bromo-3-(ethylsulfanyl)benzene is used as a reagent in various chemical reactions, facilitating the advancement of research in organic and medicinal chemistry.
Used in the Development of New Materials and Polymers:
Due to its unique chemical properties, 1-Bromo-3-(ethylsulfanyl)benzene is used in the development of new materials and polymers, contributing to the innovation of diverse applications across different industries.

InChI:InChI=1/C8H9BrS/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3

Upstream product

• 6320-01-0 3-Bromothiophenol 
• 75-03-6 ethyl iodide 

Downstream Products

• 1414778-50-9 1-[azido(cyclopropyl)methyl]-3-(ethylsulfonyl)benzene 
• 1414778-48-5 cyclopropyl[3-(ethylsulfonyl)phenyl]methanol 
• 1414778-46-3 cyclopropyl[3-(ethylsulfanyl)phenyl]methanol 
• 1414775-42-0 (1R,2R)-2-(4-fluorophenyl)cyclopropanecarboxylic acid [(R)-cyclopropyl-(3-ethanesulfonylphenyl)methyl](6-trifluoromethylpyridin-3-ylmethyl)amide 
• 1414775-44-2 (1R,2R)-2-(4-fluorophenyl)cyclopropanecarboxylic acid [(S)-cyclopropyl-(3-ethanesulfonylphenyl)methyl](6-trifluoromethylpyridin-3-ylmethyl)amide 
• 1414778-13-4 (3-(ethylsulfonyl)phenyl)(tetrahydro-2H-pyran-4-yl)methanol 
• 1414778-14-5 4-(azido(3-(ethylsulfonyl)phenyl)methyl)tetrahydro-2H-pyran 
• 1414778-83-8 (R)-C-cyclopropyl-C-(3-ethanesulfonylphenyl)methylamine 
• 1414778-82-7 (S)-C-cyclopropyl-C-(3-ethanesulfonylphenyl)methylamine 
• 1414778-09-8 C-cyclopropyl-C-(3-ethylsulfanylphenyl)methylamine hydrochloride 
• 1414778-12-3 (3-(ethylthio)phenyl)(tetrahydro-2H-pyran-4-yl)methanol 

Relevant articles and documents

THERAPEUTIC AGENTS

A compound of the formula (I): wherein R1,R2,R3, R4,Ar, A, n and m are defined herein, is disclosed as a GlyT1 inhibitor; pharmaceutical compositions containing the compound of the formula (I) are also disclosed as are their use in medicine, for example in the treatment of schizophrenia.

BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS

The present invention relates to inhibitors of COX-2, compositions which contain such compounds and methods of use. The compounds are represented by formula I: and include pharmaceutically acceptable salts and esters thereof.

Structure-based design of COX-2 selectivity into flurbiprofen

Comparative computer modeling of the X-ray crystal structures of cyclooxygenase isoforms COX-1 and COX-2 has led to the design of COX-2 selectivity into the nonselective inhibitor flurbiprofen. The COX-2 modeling was based on a postulated binding mode for flurbiprofen and took advantage of a small alcove in the COX-2 active site created by different positions of the Leu384 sidechain between COX-1 and COX-2. The design hypothesis was tested by synthesis and biological assay of a series of flurbiprofen analogs, culminating in the discovery of several inhibitors having up to 78-fold selectivity for COX-2 over COX-1.