874290-97-8

Basic information

• Product Name: 4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
• Synonyms: N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]MORPHOLINE-4-CARBOXAMIDE;4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER;4-[(Morpholin-4-ylcarbonyl)amino]benzeneboronic acid, pinacol ester;4-[(Morpholin-4-ylcarbonyl)amino]benzeneboronic acid, pinacol ester 98%;4-(4-MorpholinylcarbonylaMino)benzeneboronic acid pinacol ester, 98%;4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}morpholine;MorpholinecarboxaMide,N-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl);4-MorpholinecarboxaMide,N-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)
• CAS NO: 874290-97-8
• Molecular Formula: C₁₇H₂₅BN₂O₄
• Molecular Weight: 332.21
• Product Categories: blocks;BoronicAcids;Indazoles
• Mol File: 874290-97-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 248-250
• Boiling Point: 518.8 °C at 760 mmHg
• Flash Point: 267.6 °C
• Appearance: /
• Density: 1.16g/cm³
• Vapor Pressure: 7.21E-11mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: Keep Cold
• CAS DataBase Reference: 4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER(874290-97-8)
• EPA Substance Registry System: 4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER(874290-97-8)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 874290-97-8(Hazardous Substances Data)

Usage

General Description

4-(Morpholinylcarbonylamino)phenylboronic acid, pinacol ester is a boronic acid derivative with the chemical formula C16H23BNO4. It is commonly used as a reagent in organic synthesis, particularly in the Suzuki-Miyaura coupling reaction to form carbon-carbon bonds. 4-(MORPHOLINYLCARBONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER has a boronic acid functional group and a pinacol ester group attached to a phenyl ring, making it suitable for the formation of complex organic molecules. It is a white to off-white solid that is stable under standard conditions and is often used in research laboratories due to its versatility in organic synthesis.

InChI:InChI=1/C17H25BN2O4/c1-16(2)17(3,4)24-18(23-16)13-5-7-14(8-6-13)19-15(21)20-9-11-22-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21)

Upstream product

• 110-91-8 morpholine 
• 2001005-77-0 2-(4-isocyanophenyl)-4,4,5,5-tetramethyl- 1,3,2-dioxaborolane 
• 214360-73-3 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)aniline 

Relevant articles and documents

Synthesis, Crystal Structure, and DFT Study of a New Derivative of Pyrido[2,3-d]pyrimidine

Abstract: N-{4-[(6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy]phenyl}morpholine-4-carboxamide has been synthesized as a derivative of pyrido[2,3-d]pyrimidine that demonstrates antitumor, antibacterial, anti-inflammatory, and antimicrobial activities. Synthesis of the target compound based on 2-aminonicotinic acid as the starting material has included its esterification, bromination, cyclization, and substitution reactions. Structure of the product is confirmed by 1H and 13C NMR, FT-IR, and single-crystal X-ray diffraction (XRD). The optimized structure, electrostatic potential and frontier molecular orbitals (FMO) of the compound have been approached by DFT calculations. The compound demonstrates antiproliferative activity on A375 cells.