Cycloheptadecanone

Base Information

• Chemical Name: Cycloheptadecanone
• CAS No.: 3661-77-6
• Molecular Formula: C17H32O
• Molecular Weight: 252.44
• Hs Code.: 2914299000
• European Community (EC) Number: 609-273-6
• DSSTox Substance ID: DTXSID10190087
• Nikkaji Number: J13.297G
• Wikidata: Q72459521
• Mol file: 3661-77-6.mol

Synonyms:Cycloheptadecanone;3661-77-6;Dihydrocivetone;Civetone, dihydro-;AI3-38744;cycloheptadecanon;SCHEMBL2196782;DTXSID10190087

Chemical Property of Cycloheptadecanone

Chemical Property:

• Vapor Pressure: 4.4E-05mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 350.4 °C at 760 mmHg
• Flash Point: 157.9 °C
• PSA: 17.07000
• Density: 0.846 g/cm³
• LogP: 5.81070
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 252.245315640
• Heavy Atom Count: 18
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCCCCC(=O)CCCCCCC1

Technology Process of Cycloheptadecanone

There total 29 articles about Cycloheptadecanone 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: 80.0%

2-hydroxy-cycloheptadecanone (98221-89-7) → cycloheptadecanone (3661-77-6)

Guidance literature:

With hydrogenchloride; zinc; In 1,4-dioxane; water; at 95 - 100 ℃; for 17h;

Reference yield: 60.0%

cycloheptadec-9-en-1-one (74244-64-7) → cycloheptadecanone (3661-77-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; at 20 ℃;

DOI:10.1002/chem.201600519

Reference yield:

(Z)-civetone (542-46-1) → cycloheptadecanone (3661-77-6)

Guidance literature:

With ethanol; platinum;

DOI:10.1021/ja01181a013

upstream raw materials:

1,16-dicyanododecane

octadecanedioic acid

(Z)-civetone

cycloheptadecanol

Downstream raw materials:

cyclododecanone

methyl (1Z)-cycloundec-1-ene-1-carboxylate

cyclotetradecanone

cyclotridecanone

Refernces

• 1、 Dumas, Adrien,Colombel-Rouen, Sophie,Curbet, Idriss,Forcher, Gwénael,Tripoteau, Fabien,Caijo, Frédéric,Queval, Pierre,Rouen, Mathieu,Baslé, Olivier,Mauduit, Marc. "Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution". . p. 436 - 443. Retrieved 2019/01/28.
• 2、 Singh, Arpita,Singhal, Nishi,Agrawal, Hemlata,Yadav, Ashok K.. "A facile electrochemical approach for the synthesis of macrocyclic alkanones". . p. 423 - 426. Retrieved 2007/10/03.