4-[(Dimethylamino)methylene]-3-oxo-1-piperidinecarboxylic acid tert-butyl ester

Base Information

• Chemical Name: 4-[(Dimethylamino)methylene]-3-oxo-1-piperidinecarboxylic acid tert-butyl ester
• CAS No.: 871726-72-6
• Molecular Formula: C13H22N2O3
• Molecular Weight: 254.329
• Mol file: 871726-72-6.mol

Synonyms:4-[(Dimethylamino)methylene]-3-oxo-1-piperidinecarboxylic acid tert-butyl ester;tert-Butyl 4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylate;

Chemical Property of 4-[(Dimethylamino)methylene]-3-oxo-1-piperidinecarboxylic acid tert-butyl ester

Chemical Property:

• Boiling Point: 358℃
• PKA: 5.33±0.20(Predicted)
• Flash Point: 170℃
• PSA: 49.85000
• Density: 1.144
• LogP: 1.57970

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[(Dimethylamino)methylene]-3-oxo-1-piperidinecarboxylic acid tert-butyl ester

There total 2 articles about 4-[(Dimethylamino)methylene]-3-oxo-1-piperidinecarboxylic 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: 94.0%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7) → 4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylic acid tert-butyl ester (871726-72-6)

Guidance literature:

at 100 ℃; for 2h;

Reference yield:

tert-Butoxybis(dimethylamino)methane (5815-08-7) + 3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7) → 4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylic acid tert-butyl ester (871726-72-6)

Guidance literature:

In toluene; at 20 ℃; for 16h;

DOI:10.1016/j.bmcl.2014.04.068 DOI:10.1016/j.bmcl.2014.04.068

Reference yield: 90.0%

4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylic acid tert-butyl ester (871726-72-6) → tert-butyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate (871726-73-7)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃; for 16h;

upstream raw materials:

tert-Butoxybis(dimethylamino)methane

3-oxo-piperidine-1-carboxylic acid tert-butyl ester

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

C₁₈H₂₂FN₅O

C₁₈H₂₂ClN₅O

C₁₃H₁₃FN₄

C₁₈H₂₁ClFN₅O

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