2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride

Base Information

• Chemical Name: 2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride
• CAS No.: 4427-25-2
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.197
• European Community (EC) Number: 833-197-4
• DSSTox Substance ID: DTXSID20717148
• Mol file: 4427-25-2.mol

Synonyms:2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride;4427-25-2;1314965-08-6;2-oxa-8-azaspiro[4.5]decan-1-one;hydrochloride;2-oxa-8-azaspiro[4.5]decan-1-one,hydrochloride;2-OXA-8-AZASPIRO[4.5]DECAN-1-ONEHYDROCHLORIDE;SCHEMBL19520634;DTXSID20717148;MFCD11035931;AKOS006309394;DS-6199;SB42948;CS-0147150;FT-0724619;EN300-99362;F52500;A849998;J-510190;Z1198304217;2-Oxa-8-azaspiro[4.5]decan-1-one--hydrogen chloride (1/1)

Chemical Property of 2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 0.000241mmHg at 25°C
• Boiling Point: 324.7oC at 760 mmHg
• PKA: 10.42±0.20(Predicted)
• Flash Point: 150.2oC
• PSA: 38.33000
• Density: 1.14g/cm3
• LogP: 1.43390
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.0713064
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

2-oxa-8-azaspiro[4.5]decan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNCCC12CCOC2=O.Cl

Technology Process of 2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride

There total 5 articles about 2-Oxa-8-azaspiro[4.5]decan-1-one hydrochloride 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:

1,1-dimethylethyl 1-oxo-2-oxa-8-azaspiro[4,5]decane-8-carboxylate (154348-08-0) → 2-oxa-8-aza-spiro[4.5]decan-1-one (4427-25-2)

Guidance literature:

With methanol; acetyl chloride; at 0 - 20 ℃; for 16h;

DOI:10.1016/S0960-894X(02)00250-0

Reference yield:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (142851-03-4) → 2-oxa-8-aza-spiro[4.5]decan-1-one (4427-25-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: KHMDS / tetrahydrofuran / -78 °C

1.2: tetrahydrofuran / 1 h / -78 °C

2.1: O₃ / methanol; CH₂Cl₂ / -78 °C

2.2: NaBH₄ / 3 h / -78 - 20 °C

3.1: p-TsOH / toluene / 3 h / Heating

4.1: AcCl; MeOH / 16 h / 0 - 20 °C

With methanol; potassium hexamethylsilazane; toluene-4-sulfonic acid; ozone; acetyl chloride; In tetrahydrofuran; methanol; dichloromethane; toluene;

DOI:10.1016/S0960-894X(02)00250-0

Reference yield:

1-(1,1-dimethylethyl) 4-ethyl 4-(2-propenyl)-1,4-piperidinedicarboxylate (146603-99-8) → 2-oxa-8-aza-spiro[4.5]decan-1-one (4427-25-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: O₃ / methanol; CH₂Cl₂ / -78 °C

1.2: NaBH₄ / 3 h / -78 - 20 °C

2.1: p-TsOH / toluene / 3 h / Heating

3.1: AcCl; MeOH / 16 h / 0 - 20 °C

With methanol; toluene-4-sulfonic acid; ozone; acetyl chloride; In methanol; dichloromethane; toluene;

DOI:10.1016/S0960-894X(02)00250-0

upstream raw materials:

4-ethoxycarbonylmethyl-piperidine-4-carboxylic acid; hydrochloride

1,1-dimethylethyl 1-oxo-2-oxa-8-azaspiro[4,5]decane-8-carboxylate

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

1-(1,1-dimethylethyl) 4-ethyl 4-(2-propenyl)-1,4-piperidinedicarboxylate

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