1380587-40-5

Basic information

• Product Name: 1-[4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-yl]cyclopropane-1-carboxylic acid ethyl ester
• Synonyms: 1-[4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-yl]cyclopropane-1-carboxylic acid ethyl ester
• CAS NO: 1380587-40-5
• Molecular Weight: 392.303
• Mol File: 1380587-40-5.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-[4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-yl]cyclopropane-1-carboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-yl]cyclopropane-1-carboxylic acid ethyl ester(1380587-40-5)
• EPA Substance Registry System: 1-[4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-biphenyl]-4-yl]cyclopropane-1-carboxylic acid ethyl ester(1380587-40-5)

Safety Data

• Hazardous Substances Data: 1380587-40-5(Hazardous Substances Data)

Usage

Molecular weight

428.2 g/mol

Cyclopropane ring

A three-membered carbon ring

Carboxylic acid group

A -COOH group

Ethyl ester group

An -COOEt group

Substituted biphenyl group

A biphenyl with a 4'-yl group substitution

Dioxaborolan-2-yl group

A boron-containing group with a 1,3,2-dioxaborole structure

Structural features

The molecule consists of a cyclopropane ring fused to a substituted biphenyl group
The biphenyl group has a 4'-yl substitution, which is connected to the cyclopropane ring
The carboxylic acid group is attached to the cyclopropane ring
The ethyl ester group is connected to the carboxylic acid group
The dioxaborolan-2-yl group is attached to the biphenyl group

Pharmaceutical research

Due to its complex structure, it may have the potential to manipulate biological pathways

Chemical research

It could serve as a building block for the synthesis of other compounds

Solubility

Likely soluble in organic solvents such as dichloromethane, ethyl acetate, and acetone

Stability

Stable under normal laboratory conditions, but sensitive to moisture and air due to the presence of the boron-containing group

Reactivity

May undergo reactions such as hydrolysis, esterification, and Suzuki-Miyaura cross-coupling reactions due to the presence of various functional groups

Purity

Typically synthesized with high purity, but may require purification techniques such as column chromatography or recrystallization to remove impurities

Safety precautions

Handle with care, as the compound may be toxic or harmful if ingested, inhaled, or absorbed through the skin. Use appropriate personal protective equipment (PPE) and follow proper disposal procedures.

Upstream product

• 1215205-50-7 ethyl 1-(4-bromophenyl)cyclopropane-1-carboxylate 
• 73183-34-3 bis(pinacol)diborane 
• 71597-85-8 (p-hydroxyphenyl)boronic acid 

Downstream Products

• 1396007-02-5 1-{4'-[1-methyl-5-((R)-1-phenylethoxycarbonylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester 
• 1396007-05-8 1-{4'-[1-methyl-5-((R)-1-phenylethoxycarbonylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid 
• 1396007-08-1 (R)-1-{4'-[5-((1-(2-fluorophenyl)ethoxy)carbonylamino)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid 
• 1396007-11-6 1-{4'-[5-((1-(4-fluorophenyl)ethoxy)carbonylamino)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid 
• 1396007-14-9 (R)-1-{4'-[1-methyl-5-((1-(3-(trifluoromethyl)-phenyl)ethoxy)-carbonylamino)-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid 
• 1396007-17-2 (R)-1-{4'-[5-(sec-butoxycarbonylamino)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid 
• 1396007-20-7 (R)-1-{4'-[5-(1,2-dimethylpropoxycarbonylamino)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid 
• 1402466-17-4 (R)-ethyl 1-(4'-(1-methyl-5-((3-methylbutan-2-yloxy)carbonylamino)-1H-pyrazol-4-yl)biphenyl-4-yl)cyclopropanecarboxylate 
• 1380587-87-0 1-[4'-(5-amino-1-methyl-1H-pyrazol-4-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester 

Relevant articles and documents

SUBSTITUTED PYRAZOLE COMPOUNDS AS LPAR ANTAGONISTS

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of inflammatory diseases and disorders such as, for example, pulmonary fibrosis

LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF

Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.