255864-58-5

Basic information

• Product Name: 1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester
• Synonyms: 1-Boc-2-ethynylpiperidine;1-Piperidinecarboxylic acid, 2-ethynyl;tert-butyl 2-ethynylpiperidine-2-carboxylate;1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester;tert-Butyl 2-ethynylpiperidine-1-carboxylate
• CAS NO: 255864-58-5
• Molecular Formula: C₁₂H₁₉NO₂
• Molecular Weight: 209.287
• EINECS: 604-604-1
• Mol File: 255864-58-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 269.583°C at 760 mmHg
• Flash Point: 116.84°C
• Appearance: /
• Density: 1.02
• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.491
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -3.09±0.40(Predicted)
• CAS DataBase Reference: 1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester(255864-58-5)
• EPA Substance Registry System: 1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester(255864-58-5)

Safety Data

• Hazardous Substances Data: 255864-58-5(Hazardous Substances Data)

Usage

General Description

1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester, also known as t-Butyl 2-ethynylpiperidine-1-carboxylate, is a chemical compound commonly used in organic synthesis. It is a t-Butyl ester derivative of 2-ethynylpiperidine-1-carboxylic acid, and it is often used as a building block in the preparation of pharmaceuticals and agrochemicals. 1-Piperidinecarboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester possesses potential anti-inflammatory and anticancer properties, making it a valuable intermediate in drug discovery and development. It is important to handle this chemical with care, as it can be toxic if ingested or inhaled, and protective equipment should be used when working with it in a laboratory or industrial setting.

InChI:InChI=1/C12H19NO2/c1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3

Upstream product

• 56506-90-2 (dibromomethyl)(triphenyl)phosphonium bromide 
• 157634-02-1 tert-butyl 2-formylpiperidine-1-carboxylate 
• 994-89-8 tributylethynyltin 
• 85908-96-9 2-oxopiperidine-1-carboxylic acid tert-butyl ester 

Downstream Products

• 905706-08-3 tert-Butyl 2-(2-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)ethynyl)piperidine-1-carboxylate 

Relevant articles and documents

Conversion of medium-sized lactams to α-vinyl or α-acetylenyl azacycles via N,O-acetal TMS ethers

α-Vinyl or α-acetylenyl azacycles were easily synthesized from 7- to 9-membered lactams and 6- to 9-membered lactams via N,O-acetal trimethylsilyl (TMS) ethers. Organocopper and organostannane reagents afforded reasonable yields for the respective N-acyliminium ion vinylation and acetylenylation intermediates generated from N,O-acetal TMS ethers in the presence of a Lewis acid.

Substituted bicyclic derivatives useful as anticancer agents

The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts and solvates thereof, wherein A, X, R1, R3and R4are as defined herein. The invention also relates to methods of treating abnormal cell growth in mammals with administering the compounds of formula 1 and to pharmaceutical compositions for treating such disorders which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.