3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Base Information

• Chemical Name: 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• CAS No.: 914988-10-6
• Molecular Formula: C11H16N2O3
• Molecular Weight: 224.2563
• Hs Code.: 2933399090
• Mol file: 914988-10-6.mol

Synonyms:tert-Butyl 3-cyano-4-oxo-1-piperidinecarboxylate;3-Cyano-4-oxo-piperidine-1-carboxylic acid tert-butyl ester;

Chemical Property of 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property:

• Vapor Pressure: 7.99E-06mmHg at 25°C
• Melting Point: 97-99 °C
• Refractive Index: 1.497
• Boiling Point: 375.1 °C at 760 mmHg
• PKA: -3.72±0.40(Predicted)
• Flash Point: 180.6 °C
• PSA: 70.40000
• Density: 1.15 g/cm³
• LogP: 1.27398
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

3-Cyano-4-oxo-piperidine-1-carboxylicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Cyano-4-oxo-piperidine-1-carboxylic Acid tert-Butyl Ester is a useful research reagent for organic synthesis and other chemical processes.

Technology Process of 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

There total 3 articles about 3-CYANO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL 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%

ethyl 3-((tert-butoxycarbonyl)(2-cyanoethyl)amino)propanoate (266353-22-4) → (±)-tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate (914988-10-6)

Guidance literature:

With sodium hydride; In toluene; at 25 - 100 ℃; for 5h;

DOI:10.1021/acs.jmedchem.7b00796

Reference yield:

ethyl 3-(2-cyanoethylamino)propanoate → (±)-tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate (914988-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 1 h / 20 - 60 °C

2: sodium hydride / toluene; mineral oil / 1.5 h / 110 °C

With sodium hydride; In methanol; toluene; mineral oil;

DOI:10.3390/molecules16032626

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (±)-tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate (914988-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / methanol / 6 h / 70 °C

1.2: 6 h / 0 - 20 °C

2.1: sodium hydride / toluene / 5 h / 80 - 100 °C

With sodium hydride; sodium hydroxide; In methanol; toluene;

upstream raw materials:

ethyl 3-((tert-butoxycarbonyl)(2-cyanoethyl)amino)propanoate

di-tert-butyl dicarbonate

Downstream raw materials:

7-(3-amino-6,7-dihydro-2-methyl-2H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

tert-butyl 9-amino-3-(6-phenylpyridin-3-yl)-5,6-dihydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxylate

GNE-781