787591-43-9

Basic information

• Product Name: (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER
• Synonyms: (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER;3-ISOCYANATOPHENYLBORONIC ACID, PINACOL ESTER
• CAS NO: 787591-43-9
• Molecular Formula: C₁₃H₁₆BNO₃
• Molecular Weight: 245.08
• Product Categories: blocks;BoronicAcids
• Mol File: 787591-43-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 32-36
• Boiling Point: 100-105/2mm
• Flash Point: 162.8 °C
• Appearance: /
• Density: 1.05 g/cm³
• Vapor Pressure: 6.09E-05mmHg at 25°C
• Refractive Index: 1.508
• Sensitive: Moisture Sensitive/Lachrymatory
• CAS DataBase Reference: (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER(787591-43-9)
• EPA Substance Registry System: (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER(787591-43-9)

Safety Data

• Hazard Codes: C,T
• Hazardous Substances Data: 787591-43-9(Hazardous Substances Data)

Usage

General Description

The chemical (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER is a boronic acid pinacol ester with an isocyanate functional group attached to the benzene ring. It is commonly used in organic synthesis as a versatile building block for the preparation of various organic compounds. The isocyanate group allows for the formation of urea derivatives and the boronic acid functionality makes it useful for Suzuki-Miyaura cross-coupling reactions. Additionally, the pinacol ester group provides stability and easy manipulation of the molecule. Overall, this chemical has wide applications in the preparation of pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(8-10)15-9-16/h5-8H,1-4H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 210907-84-9 3-aminophenylboronic acid pinacolate 

Downstream Products

• 874299-09-9 1-(tert-butyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea 
• 21572-56-5 N-(3-hydroxyphenyl) morpholine-4-carboxylamide 
• 70171-70-9 1-(3-hydroxyphenyl)-3-isopropylurea 
• 1383481-30-8 3-[3-(3-{[(methylamino)carbonyl]amino}phenyl)imidazo[1,2-b]pyridazin-7-yl]benzoic acid 
• 1395786-74-9 methyl 3-[3-(3-{[(methylamino)carbonyl]amino}phenyl)imidazo[1,2-b]pyridazin-7-yl]benzoate 
• 191171-49-0 N-methyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea 
• 1062162-17-7 1-{3-[1-(1-Benzyl-piperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-3-methyl-urea 
• 787591-44-0 C₂₀H₃₂BN₃O₄ 

Relevant articles and documents

Synthesis and antitumor activity of novel pyridino[2,3-d]pyrimidine urea derivatives

A series of novel N-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)pyrrolidine-1-carboxamide and 1-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)-3-propylurea derivatives were synthesized. Their antitumor activities against human breast carcinoma cells (MCF-7) and human colon cancer cells (HCT-116) in vitro were evaluated, using sorafenib as a positive control drug. Anticancer bioassays indicated that several compounds exhibited appreciable anticancer activity against MCF-7 and HCT-116 cells. Particularly, compounds 9g and 8b demonstrated the most significant inhibitory effect against HCT-116 and MCF-7 cells, with inhibition ratios of 25.56% and 26.46%, respectively. Additionally, the synthesized pyridine[2,3-d]pyrimidine derivatives containing a urea group moieties exhibited antitumor activities against MCF-7 and HCT-116 cells in vitro.

Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors

The present invention relates to 8-amino-aryl-substituted imidazopyrazines which modulate the activity of protein kinases (“PKs”). The compounds of this invention are therefore useful in treating disorders related to abnormal PK activity. Pharmaceutical compositions comprising these compounds, methods of treating diseases utilizing pharmaceutical compositions comprising these compounds and methods of preparing them are also disclosed.