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

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

Uses

Used in Organic Synthesis:
3-Fluoro-4-methoxycarbonylphenylboronic acid is used as a reagent in organic synthesis for the preparation of various biologically active molecules. Its unique structure allows for the creation of a wide range of compounds with potential applications in different fields.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-Fluoro-4-methoxycarbonylphenylboronic acid is used as a key intermediate in the synthesis of drugs. Its ability to modify and optimize the properties of pharmacologically active compounds makes it a valuable asset in drug discovery and development.
Used in Agrochemical Industry:
3-Fluoro-4-methoxycarbonylphenylboronic acid is also utilized in the agrochemical industry for the synthesis of agrochemicals. Its reactivity and structural features contribute to the development of effective and targeted agrochemical products.
Used in Material Science:
In the field of material science, 3-Fluoro-4-methoxycarbonylphenylboronic acid serves as a building block for the synthesis of new materials. Its unique properties and reactivity enable the creation of advanced materials with specific characteristics and applications.
Used in Medicinal Chemistry:
3-Fluoro-4-methoxycarbonylphenylboronic acid has potential applications in medicinal chemistry due to its ability to modify and optimize the properties of pharmacologically active compounds. This makes it a valuable tool in the development of new drugs and therapeutic agents.

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

Upstream product

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

Downstream Products

• 1382995-42-7 methyl 3'-acetyl-5'-chloro-3-fluoro-2'-methoxy-6'-methylbiphenyl-4-carboxylate 
• 1392315-11-5 (1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-benzyl 9-(3-fluoro-4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate 
• 1350426-32-2 methyl 2-fluoro-4-(3-(quinolin-6-ylmethyl)-3H-[1,2,3]-triazolo[4,5-b]pyridin-5-yl)benzoate 
• 1321613-06-2 4-[5-(6-amino-2-methyl-pyridin-3-ylethynyl)-6-ethyl-pyrimidin-4-yl]-2-fluoro-benzoic acid 
• 1321613-05-1 4-[5-(6-amino-2-methyl-pyridin-3-ylethynyl)-6-ethyl-pyrimidin-4-yl]-2-fluoro-benzoic acid methyl ester 
• 1253055-65-0 4-[3-(6-amino-pyridin-3-ylethynyl)-2-methyl-pyridin-4-yl]-2-fluoro-benzoic acid methyl ester 
• 1246685-19-7 4-{3-chloro-4-[2-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenoxy}-2-fluoro-benzoic acid methyl ester 
• 1246382-93-3 3'-chloro-3-fluoro-4'-(3,3,3-trifluoro-2-hydroxy-2-isoquinolin-5-yl-1-methyl-propyl)-biphenyl-4-carboxylic acid methyl ester 
• 603123-03-1 C₃₁H₃₃ClFNO₅ 

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.

INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS

The present invention relates to compounds of Formula I: 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.

MUSCARINIC AGONISTS

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

AMINOALCOHOL DERIVATIVES

The present invention relates to a compound formula [I]: wherein Y is bond,--O--(CH2)n--(in which n is 1, 2, 3 or 4), etc., Z is cyano, tetrazolyl, etc., R1 is hydrogen, lower alkyl, etc., R2 is hydrogen or an amino protective group, R3 is hydrogen or lower alkyl, R4 is hydrogen or lower alkyl, R5 and R8 are each independently hydrogen, halogen, hydroxy, lower alkyl, etc., R6 is hydrogen, lower alkyl, etc., R9 is hydrogen or lower alkyl, and i is 1 or 2, or a salt thereof. The compound [I] of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of pollakiurea or urinary incontinence.