7-Methyl-5,6-diazaspiro[2.4]hept-6-en-4-one

Base Information

• Chemical Name: 7-Methyl-5,6-diazaspiro[2.4]hept-6-en-4-one
• CAS No.: 7721-57-5
• Molecular Formula: C₆H₈N₂O
• Molecular Weight: 124.142
• NSC Number: 120309
• UNII: BOI5UYP3SY
• DSSTox Substance ID: DTXSID70227964
• Wikidata: Q83107808
• Mol file: 7721-57-5.mol

Synonyms:7721-57-5;BOI5UYP3SY;7-Methyl-5,6-diazaspiro[2.4]hept-6-en-4-one;7-Methyl-5,6-diazaspiro(2.4)hept-6-en-4-one;UNII-BOI5UYP3SY;NSC120309;NSC 120309;NSC-120309;4-methyl-5,6-diazaspiro[2.4]hept-4-en-7-one;DTXSID70227964;5,6-DIAZASPIRO(2.4)HEPT-6-EN-4-ONE, 7-METHYL-

Chemical Property of 7-Methyl-5,6-diazaspiro[2.4]hept-6-en-4-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.49g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 203

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)C12CC2

Technology Process of 7-Methyl-5,6-diazaspiro[2.4]hept-6-en-4-one

There total 4 articles about 7-Methyl-5,6-diazaspiro[2.4]hept-6-en-4-one 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:

1,2-dihydro-4-(2-bromoethyl)-5-methyl-3H-pyrazol-3-one hydrobromide → 7-methyl-5,6-diazaspiro[2.4]hept-6-en-4-one (7721-57-5)

Guidance literature:

With potassium carbonate; In dimethylsulfoxide-d6; at 22 ℃; for 2h;

DOI:10.1016/S0223-5234(99)00122-1

Reference yield:

1,2-dihydro-4-(2-hydroxyethyl)-5-methyl-3H-pyrazol-3-one (65287-96-9) → 7-methyl-5,6-diazaspiro[2.4]hept-6-en-4-one (7721-57-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent HBr / 16 h / 80 °C

2: K₂CO₃ / dimethylsulfoxide-d6 / 2 h / 22 °C

With hydrogen bromide; potassium carbonate; In dimethylsulfoxide-d6; 1: Substitution / 2: cyclocondensation;

DOI:10.1016/S0223-5234(99)00122-1

Reference yield:

ethyl 1-acetylcyclopropanecarboxylate (32933-03-2) → 7-methyl-5,6-diazaspiro[2.4]hept-6-en-4-one (7721-57-5)

Guidance literature:

With hydrazine hydrate;

upstream raw materials:

ethyl 1-acetylcyclopropanecarboxylate

1,2-dihydro-4-(2-hydroxyethyl)-5-methyl-3H-pyrazol-3-one