3-Oxa-1-azaspiro[4.4]nonane-2,4-dione

Base Information

• Chemical Name: 3-Oxa-1-azaspiro[4.4]nonane-2,4-dione
• CAS No.: 3253-44-9
• Molecular Formula: C7H9 N O3
• Molecular Weight: 155.15
• Hs Code.: 2934999090
• European Community (EC) Number: 841-275-4
• DSSTox Substance ID: DTXSID20702175
• Wikidata: Q82634011
• Mol file: 3253-44-9.mol

Synonyms:3-Oxa-1-azaspiro[4.4]nonane-2,4-dione;3253-44-9;3-Oxa-1-azaspiro[4.4]nonane-2,4-dione(6CI,7CI,8CI,9CI);SCHEMBL11804224;DTXSID20702175;AC5900;MFCD18818619;SY225174;EN300-200027;A924316

Chemical Property of 3-Oxa-1-azaspiro[4.4]nonane-2,4-dione

Chemical Property:

• Melting Point: 125-127 °C
• PKA: 7.46±0.20(Predicted)
• PSA: 58.89000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 0.20560
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.058243149
• Heavy Atom Count: 11
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

3-Oxa-1-azaspiro[4.4]nonane-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(C1)C(=O)OC(=O)N2

Technology Process of 3-Oxa-1-azaspiro[4.4]nonane-2,4-dione

There total 3 articles about 3-Oxa-1-azaspiro[4.4]nonane-2,4-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%

bis(trichloromethyl) carbonate (32315-10-9) + 1-amino-1-cyclopentanecarboxylic acid (52-52-8) → 3-oxa-1-azaspiro[4.4]nonane-2,4-dione (3253-44-9)

Guidance literature:

In tetrahydrofuran; at 50 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol500523n

Reference yield:

phosgene (75-44-5) + 1-amino-1-cyclopentanecarboxylic acid (52-52-8) → 3-oxa-1-azaspiro[4.4]nonane-2,4-dione (3253-44-9)

Guidance literature:

DOI:10.1021/ja01072a055

Reference yield:

→ 3-oxa-1-azaspiro[4.4]nonane-2,4-dione (3253-44-9)

Guidance literature:

1-Amino-cyclopentan-1-carbonsaeure, Phosgen, Dioxan, Erwaermen;

DOI:10.1139/v67-251

upstream raw materials:

phosgene

1-amino-1-cyclopentanecarboxylic acid

bis(trichloromethyl) carbonate

Downstream raw materials:

6-(1-Aminocyclopentancarboxamido)penicillansaeure II

1-(cyclohexanecarboxamido)cyclopentanecarboxylic acid