cis-2,6-Dimethylpiperidin-4-one

Base Information

• Chemical Name: cis-2,6-Dimethylpiperidin-4-one
• CAS No.: 13200-35-6
• Molecular Formula: C7H13NO
• Molecular Weight: 127.18400
• DSSTox Substance ID: DTXSID50543876
• Mol file: 13200-35-6.mol

Synonyms:cis-2,6-dimethylpiperidin-4-one;13200-35-6;(2R,6S)-2,6-Dimethylpiperidin-4-one;(2S,6R)-2,6-dimethylpiperidin-4-one;cis-2,6-Dimethyl-4-oxo-piperidine;SCHEMBL3056023;DTXSID50543876;LVYOYMNCAWSORG-OLQVQODUSA-N;AKOS006351742;PS-16930;CS-0049746;P12608;4-piperidinone, 2,6-dimethyl-, (2r,6s)-rel-

Chemical Property of cis-2,6-Dimethylpiperidin-4-one

Chemical Property:

• Boiling Point: 99-105 °C(Press: 25 Torr)
• PKA: 9.07±0.60(Predicted)
• PSA: 29.10000
• Density: 0.915±0.06 g/cm3(Predicted)
• LogP: 1.04470
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

99%, ^*data from raw suppliers

cis-2,6-Dimethyl-4-oxo-piperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)CC(N1)C
• Isomeric SMILES: C[C@@H]1CC(=O)C[C@@H](N1)C

Technology Process of cis-2,6-Dimethylpiperidin-4-one

There total 5 articles about cis-2,6-Dimethylpiperidin-4-one 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: 91.3%

(2R,6S)-1-benzyl-2,6-dimethylpiperidin-4-one (198211-15-3) → (2S,6R)-2,6-dimethylpiperidin-4-one (13200-35-6)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In methanol; for 10h;

Reference yield: 88.0%

(2s,6r)-1-[(4-methoxyphenyl)methyl]-2,6-dimethyl-piperidin-4-one → (2S,6R)-2,6-dimethylpiperidin-4-one (13200-35-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 12h;

Reference yield:

acetaldehyde (75-07-0,9002-91-9) + diethyl 1,3-acetonedicarboxylate (105-50-0) → (2S,6R)-2,6-dimethylpiperidin-4-one (13200-35-6)

Guidance literature:

With ammonia; Erwaermen des Reaktionsprodukts mit wss. Salzsaeure;

DOI:10.1021/ja01577a029

upstream raw materials:

acetaldehyde

diethyl 1,3-acetonedicarboxylate

(2R,6S)-1-benzyl-2,6-dimethylpiperidin-4-one

Downstream raw materials:

tert-butyl-cis-2,6-dimethyl-4-oxopiperidine-1-carboxylate

trans-2,6-dimethyl-4-oxo-piperidine-1-carboxylic acid tert-butyl ester

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