42716-73-4

Basic information

• Product Name: BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER
• Synonyms: BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER;ETHYL 2-BROMO-2-CYCLOHEXYLACETATE;ETHYL ALPHA-BROMOCYCLOHEXANEACETATE
• CAS NO: 42716-73-4
• Molecular Formula: C₁₀H₁₇BrO₂
• Molecular Weight: 249.14
• Mol File: 42716-73-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 272.3 °C at 760 mmHg
• Flash Point: 137.3 °C
• Appearance: /
• Density: 1.299 g/cm³
• Vapor Pressure: 0.00615mmHg at 25°C
• Refractive Index: 1.492
• CAS DataBase Reference: BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER(42716-73-4)
• EPA Substance Registry System: BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER(42716-73-4)

Safety Data

• Hazardous Substances Data: 42716-73-4(Hazardous Substances Data)

Usage

Description

BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER, with the molecular formula C10H15BrO2, is a carboxylic acid ester derivative of cyclohexylacetic acid that incorporates a bromine atom. This chemical compound serves as a versatile intermediate in the synthesis of organic compounds, characterized by its ability to participate in various chemical reactions due to the presence of the bromine atom and ester functional group.

Uses

Used in Pharmaceutical Industry:
BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER is used as a chemical intermediate for the synthesis of various drugs. Its unique structure, including the bromine atom and ester group, allows it to be a key component in the development of pharmaceutical compounds with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER is utilized as a precursor in the production of pesticides. Its chemical properties make it suitable for the creation of active ingredients that can effectively control, repel, or kill pests, thereby contributing to crop protection and increased agricultural yields.
Used in Specialty Chemicals Manufacturing:
BROMO-CYCLOHEXYL-ACETIC ACID ETHYL ESTER also serves as a chemical building block in the manufacture of specialty chemicals. Its versatility and reactivity enable its use in the development of a wide range of specialty chemicals for various applications, including but not limited to coatings, adhesives, and fragrances.

InChI:InChI=1/C10H17BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3

Upstream product

• 617-33-4 ethyl dibromoacetate 
• 1088-01-3 tricyclohexylborane 
• 623-73-4 diazoacetic acid ethyl ester 
• 110-82-7 cyclohexane 
• 23860-35-7 cyclohexylacetic acid chloride 
• 22736-43-2 ethyl 2-bromo-2-diazoacetate 
• 5292-21-7 Cyclohexylacetic acid 

Downstream Products

• 108838-14-8 cyclohexyl-piperidino-acetic acid ethyl ester 
• 33559-30-7 cyclohexyl-(4-hydroxycarbamimidoyl-phenoxy)-acetic acid ethyl ester 
• 210752-61-7 Dibromo-cyclohexyl-acetic acid ethyl ester 
• 75328-63-1 ethyl α-(p-phenoxyphenoxy)α-cyclohexylacetate 
• 75328-60-8 ethyl α-(p-cyclohexylphenoxy)α-cyclohexylacetate 
• 75328-59-5 ethyl α-(p-ethylphenoxy)α-cyclohexylacetate 
• 75328-61-9 ethyl α-(p-phenylphenoxy)α-cyclohexylacetate 
• 75328-62-0 ethyl α-(5,6,7,8-tetrahydro-2-naphthoxy)-α-cyclohexylacetate 
• 1162676-07-4 [2-(4-chloro-phenyl)-benzoimidazol-1-yl]-cyclohexyl-acetic acid 
• 1162675-66-2 [2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid 
• 1162677-43-1 2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-N-[2-fluoro-4-(1H-tetrazol-5-yl)-phenyl]-acetamide 
• 1162677-57-7 2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-N-trans-(4-hydroxy-cyclohexyl)-acetamide 
• 1162675-80-0 [2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid ethyl ester 
• 1162676-06-3 [2-(4-chloro-phenyl)-benzoimidazol-1-yl]-cyclohexyl-acetic acid ethyl ester 

Relevant articles and documents

Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties

Structure-guided lead optimization of recently described benzimidazolyl acetamides addressed the key liabilities of the previous lead compound 1. These efforts culminated in the discovery of 4-{(S)-2-[2-(4-chloro-phenyl)-5,6- difluoro-benzoimidazol-1-yl]-2-cyclohexyl-acetylamino}-3-fluoro-benzoic acid 7g, a highly potent and selective FXR agonist with excellent physicochemical and ADME properties and potent lipid lowering activity after oral administration to LDL receptor deficient mice.