Spiro[3.5]nonan-7-one

Base Information

• Chemical Name: Spiro[3.5]nonan-7-one
• CAS No.: 31058-02-3
• Molecular Formula: C9H14O
• Molecular Weight: 138.20686
• Hs Code.: 2914299000
• European Community (EC) Number: 852-799-8
• DSSTox Substance ID: DTXSID40568073
• Wikidata: Q82454221
• Mol file: 31058-02-3.mol

Synonyms:Spiro[3.5]nonan-7-one;31058-02-3;SCHEMBL5110848;DTXSID40568073;MFCD17012716;AKOS016004303;SB22322;AS-42433;CS-0054583;EN300-91552;J-524290

Chemical Property of Spiro[3.5]nonan-7-one

Chemical Property:

• Boiling Point: 213.1±8.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.00±0.1 g/cm3(Predicted)
• LogP: 2.29980
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

Spiro[3.5]nonan-7-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2(C1)CCC(=O)CC2

Technology Process of Spiro[3.5]nonan-7-one

There total 2 articles about Spiro[3.5]nonan-7-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:

Ethyl 7-oxospiro[3.5]nonane-6-carboxylate (1424995-17-4) → spiro[3.5]nonan-7-one (31058-02-3)

Guidance literature:

With potassium hydroxide; water; In 1,4-dioxane; Heating / reflux;

Reference yield:

2-[1-(carboxymethyl)cyclobutyl]acetic acid (1075-98-5) + potassium cyanide (151-50-8) → spiro[3.5]nonan-7-one (31058-02-3)

Guidance literature:

Multistep reaction;

DOI:10.1021/ja00726a028

Reference yield: 78.0%

1,2,3-trimethoxybenzene (621-23-8) + spiro[3.5]nonan-7-one (31058-02-3) → 8-(2,4,6-trimethoxyphenyl)-7-azaspiro[3.6]dec-7-en-7-ium bromide

Guidance literature:

With aluminum tri-bromide; trimethylsilylazide; at 35 ℃; for 21h; Temperature; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02531

upstream raw materials:

2-[1-(carboxymethyl)cyclobutyl]acetic acid

potassium cyanide

Ethyl 7-oxospiro[3.5]nonane-6-carboxylate