330794-35-9

Basic information

• Product Name: 4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER
• Synonyms: 4-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTER;4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER;tert-Butyl [[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate
• CAS NO: 330794-35-9
• Molecular Formula: C₁₈H₂₈BNO₄
• Molecular Weight: 333.23
• Product Categories: Aryl;Boronic ester;Organoborons
• Mol File: 330794-35-9.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 452°C at 760 mmHg
• Flash Point: 227.2°C
• Appearance: /
• Density: 1.06g/cm³
• Vapor Pressure: 2.32E-08mmHg at 25°C
• Refractive Index: 1.503
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 12.16±0.46(Predicted)
• CAS DataBase Reference: 4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER(330794-35-9)
• EPA Substance Registry System: 4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER(330794-35-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 330794-35-9(Hazardous Substances Data)

Usage

General Description

4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER is a chemical compound that belongs to the class of boronic acid esters. It is commonly used in organic synthesis as a reagent for the formation of carbon-carbon and carbon-heteroatom bonds. The "N-BOC" in its name refers to the N-tert-butyloxycarbonyl group, which protects the amino group from unwanted reactions. The pinacol ester moiety ensures stability and facilitates the handling of the compound. This chemical is of interest in medicinal chemistry and has the potential to be used as a building block for the synthesis of pharmaceuticals and bioactive molecules.

InChI:InChI=1/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-8-10-14(11-9-13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21)

Upstream product

• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 73183-34-3 bis(pinacol)diborane 
• 877131-77-6 2-(4-bromo-2-ethylbenzyl)isoindoline-1,3-dione 
• 877131-21-0 (4-bromo-2-ethylphenyl)methanol 
• 644984-78-1 4-bromo-2-ethylbenzoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 3959-07-7 4-Bromobenzylamine 
• 68819-84-1 tert-butyl N-(4-bromobenzyl)carbamate 
• 861359-74-2 diisopropylethyl amine 
• 26177-44-6 4-bromobenzylamine hydrochloride 
• 138500-88-6 (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine 

Downstream Products

• 950201-66-8 C₂₃H₂₉N₃O₃ 
• 138500-88-6 (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine 
• 1403255-57-1 4'-(aminomethyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-[1,1'-biphenyl]-3-carboxamide 

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