405520-68-5

Basic information

• Product Name: 4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID
• Synonyms: N,N-DIMETHYL 4-BORONOBENZAMIDE;4-(N,N-DIMETHYLAMINOCARBONYL)BENZENE BORONIC ACID;4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID;4-(N,N-DIMETHYLCARBAMOYL)PHENYLBORONIC ACID;4-(DIMETHYLAMINO)-CARBONYL-BENZENEBORONIC ACID;4-[(DIMETHYLAMINO)CARBONYL]PHENYLBORONIC ACID;4-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID;4-(N,N-DIMENTHYLAMINOCARBONY)PHENYLNORORNIC ACID
• CAS NO: 405520-68-5
• Molecular Formula: C₉H₁₂BNO₃
• Molecular Weight: 193.01
• Product Categories: BORONICACID;blocks;BoronicAcids;Boronic acids;Boronic Acid;Aryl;Organoborons;Aryl Boronic Acids;Boronic Acids and Derivatives;Chemical Synthesis;Monosubstituted Aryl Boronic Acids;Organometallic Reagents;Boronate Ester;Potassium Trifluoroborate
• Mol File: 405520-68-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 130-136°C
• Boiling Point: 407.4 °C at 760 mmHg
• Flash Point: 200.2 °C
• Appearance: /
• Density: 1.2 g/cm³
• Vapor Pressure: 2.27E-07mmHg at 25°C
• Refractive Index: 1.553
• Storage Temp.: Keep Cold
• PKA: 7.76±0.10(Predicted)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID(405520-68-5)
• EPA Substance Registry System: 4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID(405520-68-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 1
• Hazardous Substances Data: 405520-68-5(Hazardous Substances Data)

Usage

Description

4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, also known as 4-(Dimethylcarbamoyl)benzeneboronic acid, is a white crystalline chemical compound with varying amounts of anhydride. It is characterized by its chemical properties and is widely utilized in various chemical reactions and processes.

Uses

Used in Pharmaceutical Industry:
4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID is used as a reactant for the preparation of selective glucocorticoid receptor agonists, which are essential in the treatment of various inflammatory and immune disorders.
Used in Biochemical Research:
In the field of biochemical research, 4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID is used as a reactant for the preparation of (thienopyridine)carboxamides, which serve as checkpoint 1 kinase (CHK1) inhibitors. These inhibitors play a crucial role in the regulation of cell cycle progression and DNA damage response.
Used in Cancer Treatment:
4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID is used as an intermediate in the synthesis of [(pyrrolo[2,3-b]pyridinyl)methylene]hydroxybenzofuranones, which are ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR). These inhibitors are vital in the development of targeted cancer therapies.
Used in Insulin-like Growth Factor Inhibition:
4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID is also used as an intermediate in the preparation of pyrrolopyridines, which act as inhibitors of insulin-like growth factor-1 receptor tyrosine kinase. These inhibitors are significant in the development of treatments for various cancers and other diseases related to the overactivation of this receptor.
Used in Chemical Synthesis:
4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID is used as a reactant in the copper-mediated N-arylation of quinazolinediones, a process that is essential in the synthesis of various organic compounds and pharmaceuticals.

InChI:InChI=1/C9H12BNO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3

Upstream product

• 124-40-3 dimethyl amine 
• 332154-57-1 (4-(chlorocarbonyl)phenyl)boronic acid 
• 5720-05-8 4-methylphenylboronic acid 

Downstream Products

• 400727-57-3 N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 
• 674299-32-2 4'-amino-3'-(1H-tetrazol-5-yl)-biphenyl-4-carboxylic acid dimethylamide 
• 1200571-58-9 benzyl 4-(6-{4-[(dimethylamino)carbonyl]phenyl}-4H-1,3-benzodioxin-2-yl)-piperidine-1-carboxylate 
• 1200575-57-0 N,N-dimethyl-4-(2-piperidin-4-yl-4H-1,3-benzodioxin-6-yl)benzamide 
• 1093871-36-3 3'-(5-acetamido-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-N,N-dimethylbiphenyl-4-carboxamide 
• 1093119-18-6 4-(5-formyl-6-hydroxynaphthalen-2-yl)-N,N-dimethylbenzamide 
• 1039743-71-9 4-{1'-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide 
• 874347-55-4 C₂₄H₂₃NO₄ 
• 857334-83-9 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide 
• 674299-31-1 4'-amino-3'-cyano-biphenyl-4-carboxylic acid dimethylamide 

Relevant articles and documents

DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS

The present invention relates to novel diarylurea derivatives useful as chloride channel blockers. In other aspects the invention relates to the use of these compounds in a method for therapy, such as for the treatment of bone metabolic diseases, diseases responsive to modulation of the mast cell or basophil activity, diseases responsive to inhibition of angiogenesis, or sickle cell anaemia, and to pharmaceutical compositions comprising the compounds of the invention.