N,N-Diethyl-2-oxo-1-oxaspiro(4.5)decane-4-carboxamide

Base Information

• Chemical Name: N,N-Diethyl-2-oxo-1-oxaspiro(4.5)decane-4-carboxamide
• CAS No.: 136547-40-5
• Molecular Formula: C14H23NO3
• Molecular Weight: 253.3373
• DSSTox Substance ID: DTXSID10929470
• Nikkaji Number: J428.227B
• ChEMBL ID: CHEMBL2142334
• Mol file: 136547-40-5.mol

Synonyms:N,N-Diethyl-2-oxo-1-oxaspiro(4.5)decane-4-carboxamide;BRN 5339349;136547-40-5;N,N-Diethyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide;1-Oxaspiro(4.5)decane-4-carboxamide, N,N-diethyl-2-oxo-;CBMicro_017043;Oprea1_277133;MLS000121779;CHEMBL2142334;DTXSID10929470;2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid diethylamide;HMS2382H24;CCG-5136;AKOS000548766;WAY-311916;NCGC00245380-01;LS-99570;SMR000119201;BIM-0016978.P001

Chemical Property of N,N-Diethyl-2-oxo-1-oxaspiro(4.5)decane-4-carboxamide

Chemical Property:

• Vapor Pressure: 6.19E-08mmHg at 25°C
• Boiling Point: 439.8°Cat760mmHg
• Flash Point: 219.8°C
• Density: 1.1g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.16779360
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1CC(=O)OC12CCCCC2

Technology Process of N,N-Diethyl-2-oxo-1-oxaspiro(4.5)decane-4-carboxamide

There total 2 articles about N,N-Diethyl-2-oxo-1-oxaspiro(4.5)decane-4-carboxamide 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: 65.0%

2-oxo-1-oxospiro<4,5>decane-4-carboxyl chloride (30990-88-6) + diethylamine (109-89-7) → 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid diethylamide (136547-40-5)

Guidance literature:

In benzene; at 60 ℃; for 2h;

DOI:10.1007/BF00772008

Reference yield:

2-oxo-1-oxospiro<4,5>decane-4-carboxylic acid (2819-56-9) → 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid diethylamide (136547-40-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 93.53 percent / thionyl chloride / benzene / 6 h / Heating

2: 65 percent / benzene / 2 h / 60 °C

With thionyl chloride; In benzene;

DOI:10.1007/BF00772008

upstream raw materials:

2-oxo-1-oxospiro<4,5>decane-4-carboxyl chloride

diethylamine

2-oxo-1-oxospiro<4,5>decane-4-carboxylic acid