2-Ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one

Base Information

• Chemical Name: 2-Ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one
• CAS No.: 132041-83-9
• Molecular Formula: C₁₁H₁₉NO₂
• Molecular Weight: 197.277
• DSSTox Substance ID: DTXSID10927512
• Nikkaji Number: J663.381A
• ChEMBL ID: CHEMBL40063
• Mol file: 132041-83-9.mol

Synonyms:2-ethyl-8-methyl-3-oxo-1-oxa-8-azaspiro(4,5)decane;2-ethyl-8-methyl-3-oxo-1-oxa-8-azaspiro(4,5)decane, (+)-isomer;2-ethyl-8-methyl-3-oxo-1-oxa-8-azaspiro(4,5)decane, (-)-isomer;YM 954;YM-954

Chemical Property of 2-Ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one

Chemical Property:

• Vapor Pressure: 0.00142mmHg at 25°C
• Boiling Point: 296.6°Cat760mmHg
• Flash Point: 133.2°C
• PSA: 0.00000
• Density: 1.07g/cm³
• LogP: 0.00000
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 197.141578849
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1C(=O)CC2(O1)CCN(CC2)C

Technology Process of 2-Ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one

There total 9 articles about 2-Ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-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:

ethyl 2-hydroxybutyrate (52089-54-0) + 4-Ethoxycarbonylmethylene-1-methyl-1-azacyclohexane (28399-82-8) → 2-ethyl-8-methyl-1-oxa-8-azaspiro<4.5>decan-3-one (123318-91-2,132041-84-0,132041-85-1,132041-83-9)

Guidance literature:

With hydrogenchloride; sodium chloride; dimethyl sulfoxide; In methanol; hexane; chloroform;

Reference yield:

2-Ethyl-8-methyl-3-oxo-1-oxa-8-aza-spiro[4.5]decane-4-carboxylic acid ethyl ester (1026224-77-0) → 2-ethyl-8-methyl-1-oxa-8-azaspiro<4.5>decan-3-one (123318-91-2,132041-84-0,132041-85-1,132041-83-9)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 4h; Yield given;

DOI:10.1248/cpb.43.842

Reference yield:

4-Ethoxycarbonylmethylene-1-methyl-1-azacyclohexane (28399-82-8) → 2-ethyl-8-methyl-1-oxa-8-azaspiro<4.5>decan-3-one (123318-91-2,132041-84-0,132041-85-1,132041-83-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH, 3.) 36percent aq. HCl

2: 1N aq. HCl / 4 h / 100 °C

With hydrogenchloride; sodium hydride;

DOI:10.1248/cpb.43.842

upstream raw materials:

2-Ethyl-8-methyl-3-oxo-1-oxa-8-aza-spiro[4.5]decane-4-carboxylic acid ethyl ester

4-Ethoxycarbonylmethylene-1-methyl-1-azacyclohexane

ethyl 2-hydroxybutyrate

2-ethyl-8-methyl-1-oxa-8-azaspiro<4.5>decan-3-one