2-Azaspiro[4.4]nonane-1,3-dione

Base Information

• Chemical Name: 2-Azaspiro[4.4]nonane-1,3-dione
• CAS No.: 1124-95-4
• Molecular Formula: C₈H₁₁NO₂
• Molecular Weight: 153.181
• Hs Code.: 2925190090
• European Community (EC) Number: 961-048-4
• DSSTox Substance ID: DTXSID70406939
• Wikidata: Q82212098
• Mol file: 1124-95-4.mol

Synonyms:2-azaspiro[4.4]nonane-1,3-dione;1124-95-4;SCHEMBL278231;DTXSID70406939;HMS1729G13;BAA12495;1,3-dioxo-2-azaspiro[4.4]nonane;MFCD06382829;AKOS002683233;VS-09856;CS-0224790;EN300-12095;Z57987861

Chemical Property of 2-Azaspiro[4.4]nonane-1,3-dione

Chemical Property:

• Vapor Pressure: 8.41E-05mmHg at 25°C
• Melting Point: 124 °C
• Boiling Point: 340.8°Cat760mmHg
• PKA: 11.83±0.20(Predicted)
• Flash Point: 164.8°C
• PSA: 46.17000
• Density: 1.21g/cm³
• LogP: 0.92210
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 153.078978594
• Heavy Atom Count: 11
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

2-Azaspiro[4.4]nonane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)CC(=O)NC2=O

Technology Process of 2-Azaspiro[4.4]nonane-1,3-dione

There total 7 articles about 2-Azaspiro[4.4]nonane-1,3-dione 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: 79.0%

2-oxaspiro[4.4]nonane-1,3-dione (5623-90-5) → 2-azaspiro<4.4>nonane-1,3-dione (1124-95-4)

Guidance literature:

With 4 A molecular sieve; ammonia; In xylene; Heating;

DOI:10.1002/jps.2600740721

Reference yield:

ethyl 2-cyano-2-cyclopentylideneacetate (5407-83-0) → 2-azaspiro<4.4>nonane-1,3-dione (1124-95-4)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. ethanol / 96 h / Ambient temperature

2: HCl, AcOH / H₂O / 48 h / Heating

3: AcCl / 3 h / Heating

4: 1.) NH₃, 2.) AcCl / 1.) benzene, ether, 2.) reflux

With hydrogenchloride; ammonia; acetic acid; acetyl chloride; In ethanol; water;

Reference yield:

ethyl 2-cyano-2-(1-cyanocyclopentyl)acetate (62953-74-6) → 2-azaspiro<4.4>nonane-1,3-dione (1124-95-4)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl, AcOH / H₂O / 48 h / Heating

2: AcCl / 3 h / Heating

3: 1.) NH₃, 2.) AcCl / 1.) benzene, ether, 2.) reflux

With hydrogenchloride; ammonia; acetic acid; acetyl chloride; In water;

upstream raw materials:

2-oxaspiro[4.4]nonane-1,3-dione

ethyl 2-cyano-2-cyclopentylideneacetate

1-(carboxymethyl)cyclopentanecarboxylic acid

ethyl 2-cyano-2-(1-cyanocyclopentyl)acetate