2-Hydroxy-2-azaspiro[4.4]nonane-1,3-dione

Base Information

• Chemical Name: 2-Hydroxy-2-azaspiro[4.4]nonane-1,3-dione
• CAS No.: 131042-60-9
• Molecular Formula: C8H11NO3
• Molecular Weight: 169.17800
• ChEMBL ID: CHEMBL119570
• DSSTox Substance ID: DTXSID00879192
• Nikkaji Number: J360.222B
• Wikidata: Q82861255
• Mol file: 131042-60-9.mol

Synonyms:131042-60-9;CHEMBL119570;DTXSID00879192;2-Azaspiro[4.4]nonane-1,3-dione, 2-hydroxy-

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

Chemical Property:

• PSA: 57.61000
• LogP: 0.63280
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)CC(=O)N(C2=O)O

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

There total 2 articles about 2-Hydroxy-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: 50.0%

2-oxaspiro[4.4]nonane-1,3-dione (5623-90-5) → N-hydroxy-2-azaspiro[4.4]nonane-1,3-dione (131042-60-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In water; at 60 - 70 ℃; for 1h;

DOI:10.1021/jm00105a059

Reference yield:

2-Benzyloxy-2-aza-spiro[4.4]nonane-1,3-dione (131042-61-0) → N-hydroxy-2-azaspiro[4.4]nonane-1,3-dione (131042-60-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; at 20 ℃; for 24h;

DOI:10.1002/cmdc.202100406

Reference yield: 65.4%

diphenyliodonium chloride (1483-72-3) + N-hydroxy-2-azaspiro[4.4]nonane-1,3-dione (131042-60-9) → N-phenoxy-2-azaspiro[4.4]nonane-1,3-dione

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; for 24h; Ambient temperature;

DOI:10.1016/0223-5234(96)83972-9

upstream raw materials:

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

2-Benzyloxy-2-aza-spiro[4.4]nonane-1,3-dione

Downstream raw materials:

2-Benzyloxy-2-aza-spiro[4.4]nonane-1,3-dione

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