Spiro[3.5]nonane-1,3-dione

Base Information

• Chemical Name: Spiro[3.5]nonane-1,3-dione
• CAS No.: 455264-97-8
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2914299000
• European Community (EC) Number: 610-259-7
• DSSTox Substance ID: DTXSID70469342
• Wikidata: Q82297010
• Mol file: 455264-97-8.mol

Synonyms:Spiro[3.5]nonane-1,3-dione;455264-97-8;SCHEMBL2988042;DTXSID70469342;CS-M0205;AKOS006306933;DS-4461;A7170;FT-0711575

Chemical Property of Spiro[3.5]nonane-1,3-dione

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 306.368oC at 760 mmHg
• Flash Point: 114.534oC
• PSA: 34.14000
• Density: 1.131g/cm3
• LogP: 1.47880
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

Spiro[3.5]nonane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)C(=O)CC2=O

Technology Process of Spiro[3.5]nonane-1,3-dione

There total 2 articles about Spiro[3.5]nonane-1,3-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: 92.0%

3-ethoxyspiro[3.5]non-2-en-1-one (10576-21-3) → 1-keto-3-hydroxy-spiro[3.5]non-2-ene (455264-97-8)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 24h;

DOI:10.1021/ol034701n

Reference yield:

cyclohexanylcarbonyl chloride (2719-27-9) → 1-keto-3-hydroxy-spiro[3.5]non-2-ene (455264-97-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / triethylamine / diethyl ether; hexane / 24 h / Heating

2: 92 percent / hydrochloric acid / H₂O / 24 h / 20 °C

With hydrogenchloride; triethylamine; In diethyl ether; hexane; water;

DOI:10.1021/ol034701n

Reference yield: 100.0%

ethyl (S)-2-amino-3-(4-nitrophenyl)propionate (34276-53-4,780004-06-0) + 1-keto-3-hydroxy-spiro[3.5]non-2-ene (455264-97-8) → 3-(4-nitrophenyl)-2(S)-(3-oxospiro[3.5]non-1-en-1-ylamino)propionic acid ethyl ester (644995-08-4)

Guidance literature:

In dichloromethane; for 16h;

upstream raw materials:

3-ethoxyspiro[3.5]non-2-en-1-one

cyclohexanylcarbonyl chloride

Downstream raw materials:

ethyl (2S)-2-[(3-oxospiro[3.5]non-1-en-1-yl)amino]-3-{4-[(3,5-dichloroisonicotinoyl)amino]phenyl}propanoate

(2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-{4-[(3,5-dichloroisonicotinoyl)amino]phenyl}propanoic acid

ethyl (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-{4-[(3,5-dichloroisonicotinoyl)amino]phenyl}propanoate

ethyl (2S)-2-[(2-chloro-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-{4-[(3,5-dichloroisonicotinoyl)amino]phenyl}propanoate

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