505083-04-5

Basic information

• Product Name: 3-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID
• Synonyms: 3-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride);METHYL 4-BORONO-2-FLUOROBENZOATE;3-FLUORO-4-METHOXYCARBONYLBENZENEBORONIC ACID;3-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID;AKOS BRN-0547;3-FLUORO-4-METHOXYCARNONYLPHENYLBOEONIC ACID;3-Fluoro-4-(Methoxycarbonyl)Ph;3-Fluoro-4-(methoxycarbonyl)phenylbonoic
• CAS NO: 505083-04-5
• Molecular Formula: C₈H₈BFO₄
• Molecular Weight: 197.96
• Product Categories: blocks;BoronicAcids;Carboxes;FluoroCompounds;Aryl;Organoborons;Boronic acid;Aryl Boronic Acids;Boronic Acids;Boronic Acids and Derivatives;Chemical Synthesis;Disubstituted Aryl Boronic Acids;New Products for Chemical Synthesis;Organometallic Reagents
• Mol File: 505083-04-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 180-184°C
• Boiling Point: 361.8 °C at 760 mmHg
• Flash Point: 172.6 °C
• Appearance: /
• Density: 1.33 g/cm³
• Vapor Pressure: 0.423mmHg at 25°C
• Refractive Index: 1.487
• Storage Temp.: Keep Cold
• PKA: 6.61±0.10(Predicted)
• CAS DataBase Reference: 3-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID(505083-04-5)
• EPA Substance Registry System: 3-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID(505083-04-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 505083-04-5(Hazardous Substances Data)

Usage

General Description

3-Fluoro-4-methoxycarbonylphenylboronic acid is a chemical compound with the molecular formula C8H8BFO4. It is a boronic acid derivative with a fluorine atom and a methoxycarbonyl group attached to a phenyl ring. 3-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID is commonly used in organic synthesis as a reagent for the preparation of various biologically active molecules, pharmaceuticals, and agrochemicals. It is also used in the development of new materials and as a building block for the synthesis of complex organic compounds. 3-Fluoro-4-methoxycarbonylphenylboronic acid has potential applications in medicinal chemistry and drug discovery due to its ability to modify and optimize the properties of pharmacologically active compounds.

InChI:InChI=1/C8H3ClF3NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H

Upstream product

• 179232-29-2 methyl 4-bromo-2-fluorobenzoate 
• 603122-52-7 methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 

Downstream Products

• 603123-03-1 C₃₁H₃₃ClFNO₅ 
• 175596-01-7 methyl 4-cyano-2-fluorobenzoate 
• 643091-31-0 methyl 4'-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-3-fluoro-1,1'-biphenyl-4-carboxylate 

Relevant articles and documents

Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human β3-adrenergic receptor agonists with good oral bioavailability. Part I

A novel class of biphenyl analogues containing a benzoic acid moiety based on lead compound 8i have been identified as potent and selective human β3 adrenergic receptor (β3-AR) agonists with good oral bioavailability and long plasma half-life. After further substituent effects were investigated at the terminal phenyl ring of lead compound 8i, we have discovered that more lipophilic substitution at the R position improved potency and selectivity. As a result of these studies, 10a and 10e were identified as the leading candidates with the best balance of potency, selectivity, and pharmacokinetic profiles. In addition, compounds 10a and 10e were evaluated to be efficacious for a carbachol-induced increase of intravesical pressure, such as an overactive bladder model in anesthetized dogs. This represents the first demonstrated result dealing with β3- AR agonists.

MUSCARINIC AGONISTS

The present invention relates to compounds of Formula (I): which are agonists of the M-1 muscarinic receptor.

MUSCARINIC AGONISTS

The present invention relates to compounds of Formula (I): which are agonists of the M-1 muscarinic receptor.