ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

Base Information

• Chemical Name: ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
• CAS No.: 1067915-34-7
• Molecular Formula: C15H17F2NO3
• Molecular Weight: 297.302
• Hs Code.: 2933399990
• Mol file: 1067915-34-7.mol

Synonyms:ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate;Ethyl 1-benzyl-5,5-difluo...;Ethyl 1-benzyl-5,5-difluoro-4-oxo-piperidin-3-carboxylate

Chemical Property of ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

Chemical Property:

• Boiling Point: 365.6±42.0 °C(Predicted)
• PKA: 6.93±0.40(Predicted)
• Density: 1.25±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-Benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate

There total 3 articles about ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate 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: 81.0%

ethyl N-[3-(ethyloxy)-2,2-difluoro-3-oxopropyl]-N-(phenylmethyl)-beta-alaninate (851314-55-1) → ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate (1067915-34-7)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃;

Reference yield:

ethyl N-(1H-1,2,3-benzotriazol-1-ylmethyl)-N-(phenylmethyl)-beta-alaninate (851314-54-0) → ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate (1067915-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc; chloro-trimethyl-silane / tetrahydrofuran / 16 h / 28 - 30 °C

2: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 20 °C

With chloro-trimethyl-silane; potassium tert-butylate; zinc; In tetrahydrofuran;

Reference yield:

ethyl-3-benzylamino propionate (23583-21-3) → ethyl 1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate (1067915-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol / 16 h / 0 - 20 °C

2: zinc; chloro-trimethyl-silane / tetrahydrofuran / 16 h / 28 - 30 °C

3: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 20 °C

With chloro-trimethyl-silane; potassium tert-butylate; zinc; In tetrahydrofuran; methanol;

upstream raw materials:

ethyl N-[3-(ethyloxy)-2,2-difluoro-3-oxopropyl]-N-(phenylmethyl)-beta-alaninate

ethyl N-(1H-1,2,3-benzotriazol-1-ylmethyl)-N-(phenylmethyl)-beta-alaninate

ethyl-3-benzylamino propionate

Downstream raw materials:

1-benzyl-5,5-difluoro-4-trifluoromethanesulfonyloxy-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid ethyl ester

tert-butyl 3,3-difluoro-4,4-dihydroxypiperidine-1-carboxylate

(±)-tert-butyl 4-(benzylamino)-3,3-difluoropiperidine-1-carboxylate

(±)-tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate

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