859833-21-9

Basic information

• Product Name: 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]PIPERIDINE
• Synonyms: 3-(PIPERIDIN-1-YLMETHYL)BENZENEBORONIC ACID, PINACOL ESTER;1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]PIPERIDINE;3-(Piperidin-1-ylmethyl)phenylboronic acid, pinacol ester;1-{[3-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]Methyl}piperidine;3-(Piperidin-1-ylmethyl)benzeneboronicacid,pinacolester97%;3-((Piperidine)methyl) phenylboronicacid pinacol ester
• CAS NO: 859833-21-9
• Molecular Formula: C₁₈H₂₈BNO₂
• Molecular Weight: 301.23
• Mol File: 859833-21-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 402.2°C at 760 mmHg
• Flash Point: 197°C
• Appearance: /
• Density: 1.03g/cm³
• Vapor Pressure: 1.12E-06mmHg at 25°C
• Refractive Index: 1.525
• Storage Temp.: 2-8°C
• PKA: 9.04±0.10(Predicted)
• CAS DataBase Reference: 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]PIPERIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]PIPERIDINE(859833-21-9)
• EPA Substance Registry System: 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]PIPERIDINE(859833-21-9)

Safety Data

• Hazard Codes: C
• Hazardous Substances Data: 859833-21-9(Hazardous Substances Data)

Usage

General Description

1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperidine is a chemical compound that belongs to the class of organic compounds known as piperidines. It is a crystalline solid that is used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. 1-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL]PIPERIDINE contains a piperidine ring, a benzyl group, and a dioxaborolane group, which makes it suitable for use as a reagent in organic synthesis. It is a versatile building block for the preparation of various biologically active compounds and has potential applications in medicinal chemistry and drug discovery. This chemical is available for research and development purposes and should be handled and used according to proper laboratory safety guidelines.

InChI:InChI=1/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-10-8-9-15(13-16)14-20-11-6-5-7-12-20/h8-10,13H,5-7,11-12,14H2,1-4H3

Upstream product

• 59507-40-3 1-(3-bromobenzyl)piperidine 
• 61676-62-8 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 121-43-7 Trimethyl borate 
• 823-78-9 meta-bromobenzyl bromide 
• 110-89-4 piperidine 
• 87199-15-3 [3-(hydroxymethyl)phenyl]boronic acid 
• 443776-76-9 (3‐(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolan‐2‐yl)phenyl)methanol 
• 73183-34-3 bis(pinacol)diborane 
• 214360-74-4 2-(3-(bromomethyl)phenyl)-4,4,5,5,-tetramethyl-1,3,2-dioxaborolane 

Downstream Products

• 864277-08-7 N-(3’-(piperidin-1-ylmethyl)-[1,1’-biphenyl]-4-yl)sulfonyl-N’-(5-ethoxycarbonylthiazol-2-yl)piperazine 
• 1432450-90-2 N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(3-(piperidin-1-ylmethyl)phenyl)quinazolin-4-amine 

Relevant articles and documents

Synthesis of Biaryls Having a Piperidylmethyl Group Based on Space Integration of Lithiation, Borylation, and Suzuki–Miyaura Coupling

In a flow microreactor, aryllithiums bearing a piperidylmethyl group were generated using nBuLi by precise residence time control and effective temperature control, and then selectively borylated with boronic esters such as 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (BpinOiPr) and trimethyl borate B(OMe)3 by fast mixing. Moreover, the direct integration with Suzuki–Miyaura cross coupling were successfully achieved to obtain nitrogen-containing biaryl compounds. The present method could be applied for the straightforward synthesis of the key intermediate of a bioactive component bearing a piperidylmethyl-biphenyl framework.

ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS

The present invention is directed to acylguanidines which are inhibitors of tryptophan hydroxylase (TPH), particularly isoform 1 (TPHl), that are useful in the treatment of diseases or disorders associated with peripheral serotonin including, for example, gastrointestinal, cardiovascular, pulmonary, inflammatory, metabolic, and low bone mass diseases, as well as serotonin syndrome, and cancer.

Kinase scaffold repurposing for neglected disease drug discovery: Discovery of an efficacious, lapatanib-derived lead compound for trypanosomiasis

Human African trypanosomiasis (HAT) is a neglected tropical disease caused by the protozoan parasite Trypanosoma brucei. Because drugs in use against HAT are toxic and require intravenous dosing, new drugs are needed. Initiating lead discovery campaigns b