Spiro[2.4]heptan-4-one

Base Information

• Chemical Name: Spiro[2.4]heptan-4-one
• CAS No.: 5771-32-4
• Molecular Formula: C₇H₁₀O
• Molecular Weight: 110.156
• European Community (EC) Number: 854-690-0
• NSC Number: 87814
• DSSTox Substance ID: DTXSID20973303
• Nikkaji Number: J110.390C
• Wikidata: Q82957190
• Mol file: 5771-32-4.mol

Synonyms:Spiro[2.4]heptan-4-one;5771-32-4;spiro[2.4]heptan-7-one;MFCD21877581;Spiro[2,4]heptan-4-one;NSC87814;spiro-[2.4]-heptan-4-one;SCHEMBL1786726;DTXSID20973303;NSC-87814;AKOS022532554;NS-01008;SY197560;CS-0139731;EN300-84984;F51719;A903033

Chemical Property of Spiro[2.4]heptan-4-one

Chemical Property:

• Boiling Point: 175.3°Cat760mmHg
• Flash Point: 52.9°C
• PSA: 17.07000
• Density: 1.05g/cm³
• LogP: 1.51960
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

Spiro[2.4]heptan-4-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2(C1)CC2

Technology Process of Spiro[2.4]heptan-4-one

There total 20 articles about Spiro[2.4]heptan-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: 66.1%

→ spiro[2.4]heptan-4-one (5771-32-4)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 1h;

In dimethyl sulfoxide; at 20 - 50 ℃; for 2.5h;

Reference yield: 64.0%

1-(2-Chloro-ethyl)-2-oxo-cyclopentanecarboxylic acid methyl ester → spiro[2.4]heptan-4-one (5771-32-4)

Guidance literature:

With lithium chloride; In N,N,N,N,N,N-hexamethylphosphoric triamide; for 1h; Heating;

DOI:10.1039/c39810000030

Reference yield: 40.0%

oxirane (75-21-8,99932-75-9) + diethyl 2-oxocyclopentylphosphonate (15090-41-2) → spiro[2.4]heptan-4-one (5771-32-4)

Guidance literature:

With sodium hydride; 1.) r.t., 1 h, 2.) 125 deg C, 6 h;

DOI:10.1021/jo00069a018

upstream raw materials:

spiro<2,4>heptan-4-ol

5-Jod-2,2-dimethylen-pentannitril

2-chlorocyclopentanone

dimethylsulfoxonium methylide

Downstream raw materials:

5-benzylidene-spiro[2.4]heptan-4-one

Spiro<2.4>hept-4-en

5,5-Bis-tosyloxymethyl-spiro<2.4>heptan-4-on

5-phenylthio-6-<3-tert-butyldimethylsilyloxy-(E)-1-octenyl>-spiro<2.4>heptan-4-one