214360-76-6

Basic information

• Product Name: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
• Synonyms: 2-(3-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 3-Hydroxyphenylboronic Acid Pinacol Ester;3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenol 3-Hydroxyphenylboronic Acid;522562_Aldrich;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL;2-(3-HYDROXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE;3-HYDROXYBENZENEBORONIC ACID PINACOL ESTER;3-HYDROXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;3-HYDROXYPHENYLBORONIC ACID, PINACOL ESTER
• CAS NO: 214360-76-6
• Molecular Formula: C₁₂H₁₇BO₃
• Molecular Weight: 220.07
• Product Categories: Aryl Boronate Esters;Boronate Esters;Boronic Acids and Derivatives;Chemical Synthesis;Organometallic Reagents;Isoxazoles ,Oxazoles;Boronic acids;B (Classes of Boron Compounds);Boronic Acids Esters;organic or inorganic borate
• Mol File: 214360-76-6.mol
• Article Data: 14

Chemical Properties

• Melting Point: 94-98 °C(lit.)
• Boiling Point: 343.559 °C at 760 mmHg
• Flash Point: 161.579 °C
• Appearance: Light brown/Crystalline Powder
• Density: 1.088 g/cm³
• Vapor Pressure: 3.51E-05mmHg at 25°C
• Refractive Index: 1.514
• Storage Temp.: Refrigerator (+4°C)
• PKA: 10.01±0.10(Predicted)
• Water Solubility: Insoluble in water
• CAS DataBase Reference: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL(214360-76-6)
• EPA Substance Registry System: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL(214360-76-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• TSCA: No
• HazardClass: IRRITANT
• Hazardous Substances Data: 214360-76-6(Hazardous Substances Data)

Usage

Chemical Properties

light brown crystalline powder

InChI:InChI=1/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3

Upstream product

• 73183-34-3 bis(pinacol)diborane 
• 25015-63-8 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane 
• 108-95-2 phenol 
• 95770-20-0 4,4,5,5-tetramethyl-2-phenoxy-1,3,2-dioxaborolane 
• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 87199-18-6 3-hydroxyphenylboronic acid 
• 765908-38-1 2-(3-(benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 591-20-8 3-Bromophenol 

Downstream Products

• 832711-04-3 3-[2(R)-tert-butoxycarbonylamino-2-phenylethyl]-5-(3-hydroxyphenyl)-1-[2-bromo-6-fluorobenzyl]-6-methylpyrimidine-2,4(1H,3H)-dione 
• 864771-48-2 2-(3-((3-fluorobenzyl)oxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 28023-90-7 4-chloro-3'-hydroxybiphenyl 
• 149950-34-5 2'-chlorobiphenyl-3-ol 
• 365426-91-1 3'-chlorobiphenyl-3-ol 
• 1256781-61-9 2,4-dibromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol 
• 1256781-71-1 4-iodo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol 
• 701244-03-3 3-(2-morpholino-6-(quinolin-3-ylamino)pyrimidin-4-yl)phenol 
• 701243-22-3 3-(2-(morpholin-4-yl)-6-(pyridin-3-ylamino)pyrimidin-4-yl)phenol 
• 1313717-14-4 5-ethoxy-2-(3-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid ethyl ester 

Relevant articles and documents

Biphenyl compound as well as preparation method and medical application thereof

The invention discloses a biphenyl compound as well as a preparation method and medical application thereof, the structure of the biphenyl compound is shown as a formula (I) or a formula (II), and thebiphenyl compound or pharmaceutically acceptable salt, tautomer, meso-isomer, raceme, stereoisomer, metabolite, metabolite precursor, prodrug or solvate thereof is a PD-L1 inhibitor. The compound hasa remarkable inhibiting effect on the interaction of PD-1 and PD-L1 protein, so that the compound can be applied to the preparation of PD-L1 inhibitors and immunomodulator drugs for preventing or treating tumors, autoimmune diseases, organ transplant rejection, infectious diseases and inflammatory diseases.

Para-Selective, Iridium-Catalyzed C-H Borylations of Sulfated Phenols, Benzyl Alcohols, and Anilines Directed by Ion-Pair Electrostatic Interactions

Para C-H borylations (CHB) of tetraalkylammonium sulfates and sulfamates have been achieved using bipyridine-ligated Ir boryl catalysts. Selectivities can be modulated by both the length of the alkyl groups in the tetraalkylammonium cations and the substituents on the bipyridine ligands. Ion pairing, where the alkyl groups of the cation shield the meta C-H bonds in the counteranions, is proposed to account for para selectivity. The 4,4′-dimethoxy-2,2′-bipyridine ligand gave superior selectivities.

Preparation method of (3-(3-(dimethylamino) propoxy) phenyl) boronic acid

The invention discloses a preparation method of (3-(3-(dimethylamino) propoxy) phenyl) boronic acid. The preparation method comprises the following steps: (1) with 3-hydroxybenzeneboronic acid as a starting material, performing an esterification reaction