2,2,6,6-Tetramethyl-1-nitroso-4-piperidone

Base Information

• Chemical Name: 2,2,6,6-Tetramethyl-1-nitroso-4-piperidone
• CAS No.: 640-01-7
• Molecular Formula: C9H16 N2 O2
• Molecular Weight: 184.238
• Hs Code.: 2933399090
• European Community (EC) Number: 211-361-0
• NSC Number: 5414
• UNII: D7YS9ZVN77
• DSSTox Substance ID: DTXSID90213985
• Nikkaji Number: J846J
• Wikidata: Q83089686
• Mol file: 640-01-7.mol

Synonyms:2,2,6,6-Tetramethyl-1-nitroso-4-piperidone;640-01-7;2,2,6,6-tetramethyl-1-nitrosopiperidin-4-one;4-Piperidinone, 2,2,6,6-tetramethyl-1-nitroso-;D7YS9ZVN77;NSC 5414;NSC-5414;EINECS 211-361-0;NSC5414;2,2,6,6-Tetramethyl-1-nitroso-4-piperidinone;N-Nitrosotriacetonamine;UNII-D7YS9ZVN77;SCHEMBL9885323;DTXSID90213985;STK525116;AKOS005458891;4-Piperidinone,2,6,6-tetramethyl-1-nitroso-;2,2,6,6-Tetramethyl-1-nitroso-4-piperidinone #

Chemical Property of 2,2,6,6-Tetramethyl-1-nitroso-4-piperidone

Chemical Property:

• Vapor Pressure: 0.00141mmHg at 25°C
• Boiling Point: 296.7°C at 760 mmHg
• Flash Point: 133.3°C
• PSA: 49.74000
• Density: 1.1g/cm³
• LogP: 1.82780
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 184.121177757
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)CC(N1N=O)(C)C)C

Technology Process of 2,2,6,6-Tetramethyl-1-nitroso-4-piperidone

There total 2 articles about 2,2,6,6-Tetramethyl-1-nitroso-4-piperidone 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: 90.49%

2,2,6,6-Tetramethyl-4-piperidone (826-36-8) → 1-nitroso-2,2,6,6-tetramethyl-4-piperidone (640-01-7)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 - 60 ℃; for 2h; Temperature;

Reference yield:

→ 1-nitroso-2,2,6,6-tetramethyl-4-piperidone (640-01-7)

Guidance literature:

With alkali nitrite;

Reference yield: 90.0%

1-nitroso-2,2,6,6-tetramethyl-4-piperidone (640-01-7) → phorone (504-20-1)

Guidance literature:

With sodium isopropylate; In isopropyl alcohol; at 20 - 60 ℃; for 6h; Reagent/catalyst; Solvent; Temperature;

upstream raw materials:

2,2,6,6-Tetramethyl-4-piperidone

Downstream raw materials:

2,2,6,6-Tetramethyl-4-piperidone

phorone

Refernces

• 1、 -. "Improved synthesis method of isophorone". Paragraph 0042; 0044-0045; 0058; 0060-0061; 0063; .... . Retrieved 2021/09/08.