5-Benzyl-5-azaspiro[2.4]heptane-4,7-dione

Base Information

• Chemical Name: 5-Benzyl-5-azaspiro[2.4]heptane-4,7-dione
• CAS No.: 129306-04-3
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.252
• DSSTox Substance ID: DTXSID40432200
• Nikkaji Number: J961.682I
• Wikidata: Q82246255
• Mol file: 129306-04-3.mol

Synonyms:5-benzyl-5-azaspiro[2.4]heptane-4,7-dione;129306-04-3;5-Azaspiro[2.4]heptane-4,7-dione, 5-(phenylmethyl)-;5-(phenylmethyl)-5-azaspiro[2.4]heptane-4,7-dione;SCHEMBL1189753;DTXSID40432200;INVMZALXDUDUFO-UHFFFAOYSA-N;CS-M3524;MFCD22050713;AM85548;CS-15085;FT-0732001;C13041;EN300-181156

Chemical Property of 5-Benzyl-5-azaspiro[2.4]heptane-4,7-dione

Chemical Property:

• PSA: 37.38000
• LogP: 1.31600
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 327

Purity/Quality:

98%min ^*data from raw suppliers

5-benzyl-5-azaspiro[2.4]heptane-4,7-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC12C(=O)CN(C2=O)CC3=CC=CC=C3
• Uses: 5-benzyl-5-azaspiro[2.4]heptane-4,7-dione is a useful research chemical.

Technology Process of 5-Benzyl-5-azaspiro[2.4]heptane-4,7-dione

There total 10 articles about 5-Benzyl-5-azaspiro[2.4]heptane-4,7-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: 73.0%

N-benzyl-1-(2-bromoacetyl)cyclopropanecarboxamide (331443-52-8) → 5-benzyl-5-azaspiro[2.4]heptane-4,7-dione (129306-04-3)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In 1,2-dichloro-ethane; at 50 - 70 ℃; for 5h; Large scale;

Reference yield: 30.0%

benzylamine (100-46-9) + ethyl 1-(2-bromoacetyl)cyclopropanecarboxylate (129306-05-4) → 5-benzyl-5-azaspiro[2.4]heptane-4,7-dione (129306-04-3)

Guidance literature:

With triethylamine; In acetonitrile; at 0 ℃; for 3.3h;

Reference yield: 26.0%

ethyl 1-acetylcyclopropanecarboxylate (32933-03-2) + benzylamine (100-46-9) → 5-benzyl-5-azaspiro[2.4]heptane-4,7-dione (129306-04-3)

Guidance literature:

ethyl 1-acetylcyclopropanecarboxylate; With bromine; In ethanol; for 2h;

benzylamine; In ethanol; at 0 - 20 ℃; Product distribution / selectivity;

upstream raw materials:

1-(2-Benzylamino-acetyl)-cyclopropanecarboxylic acid ethyl ester

N-benzyl-N-(tert-butoxycarbonyl)glycine

4-(Benzyl-tert-butoxycarbonyl-amino)-3-oxo-butyric acid ethyl ester

1-[2-(Benzyl-tert-butoxycarbonyl-amino)-acetyl]-cyclopropanecarboxylic acid ethyl ester

Downstream raw materials:

5-benzyl-7-(hydroxyimino)-4-oxo-5-azaspiro[2.4]heptane

4-oxo-5-benzyl-7-hydroxyimino-5-azaspiro[2,4]heptane

5-benzyl-7(S)-amino-5-azaspiro[2,4]heptane

5-benzyl-7(S)-tert-butoxycarbonylamino-5-azaspiro[2,4]heptane