1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
• CAS No.: 664362-16-7
• Molecular Formula: C12H19NO2
• Molecular Weight: 209.288
• Mol file: 664362-16-7.mol

Synonyms:1,1-Dimethylethyl3-ethynyl-1-piperidinecarboxylate;1-(tert-Butoxycarbonyl)-3-ethynylpiperidine;3-Ethynylpiperidine-1-carboxylic acid tert-butyl ester;tert-Butyl3-ethynylpiperidine-1-carboxylate;

Chemical Property of 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 269.583 °C at 760 mmHg
• PKA: -2.37±0.40(Predicted)
• Flash Point: 116.84 °C
• PSA: 29.54000
• Density: 1.026 g/cm³
• LogP: 2.20460
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-butyl3-ethynylpiperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester

There total 4 articles about 1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

3-formylpiperidine-1-carboxylic acid tert-butyl ester (118156-93-7) + dimethyl diazomethylphosphonate (27491-70-9,28447-24-7,25411-73-8) → tert-butyl 3-ethynylpiperidine-1-carboxylate (664362-16-7)

Guidance literature:

With potassium carbonate; In methanol; for 2.16667h; Cooling with ice;

Reference yield: 96.0%

→ tert-butyl 3-ethynylpiperidine-1-carboxylate (664362-16-7)

Guidance literature:

Reference yield: 93.0%

3-(2,2-dibromo-vinyl)-piperidine-1-carboxylic acid tert-butyl ester (851882-50-3) → tert-butyl 3-ethynylpiperidine-1-carboxylate (664362-16-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

upstream raw materials:

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate

3-formylpiperidine-1-carboxylic acid tert-butyl ester

3-(2,2-dibromo-vinyl)-piperidine-1-carboxylic acid tert-butyl ester

dimethyl diazomethylphosphonate

Downstream raw materials:

3-ethynylpiperidine hydrochloride

3-ethynylpiperidine

3-(4-fluoro-phenylethynyl)-piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "BICYCLIC OGA INHIBITOR COMPOUNDS". Page/Page column 35. . Retrieved 2018/07/05.
• 2、 -. "PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS". Page/Page column 352. . Retrieved 2014/09/29.