9-Heptadecanone

Base Information

• Chemical Name: 9-Heptadecanone
• CAS No.: 540-08-9
• Molecular Formula: C17H34 O
• Molecular Weight: 254.456
• Hs Code.: 2914190090
• European Community (EC) Number: 208-734-5
• NSC Number: 7336
• DSSTox Substance ID: DTXSID50202310
• Nikkaji Number: J103.573H
• Wikidata: Q77495832
• Metabolomics Workbench ID: 5565
• ChEMBL ID: CHEMBL2398215
• Mol file: 540-08-9.mol

Synonyms:9-heptadecanone;heptadecan-9-one;pelargone

Chemical Property of 9-Heptadecanone

Chemical Property:

• Vapor Pressure: 0.000275mmHg at 25°C
• Melting Point: 51-53°C
• Refractive Index: 1.4465 (estimate)
• Boiling Point: 250-253°C
• Flash Point: 83.6°C
• PSA: 17.07000
• Density: 0.83g/cm³
• LogP: 6.05670
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in toluene. Insoluble in water.
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 254.260965704
• Heavy Atom Count: 18
• Complexity: 156

Purity/Quality:

98%,99%, ^*data from raw suppliers

9-Heptadecanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)CCCCCCCC
• Uses: 9-Heptadecanone is used as pharmaceutical intermediates.

Technology Process of 9-Heptadecanone

There total 65 articles about 9-Heptadecanone 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: 90.0%

nonanoic acid (112-05-0) → heptadecan-9-one (540-08-9)

Guidance literature:

With iron; for 17h; Heating;

DOI:10.1002/jlcr.2580361211

Reference yield: 90.0%

9-(Dimethyl-phenyl-silanyl)-heptadecan-9-ol → heptadecan-9-one (540-08-9)

Guidance literature:

With jones reagent; In diethyl ether;

Reference yield: 85.0%

9-heptadecanol (624-08-8) → heptadecan-9-one (540-08-9)

Guidance literature:

With sodium dichromate; sulfuric acid; In water; at 25 ℃; Inert atmosphere;

DOI:10.1002/cplu.201900593

upstream raw materials:

nonanoic acid

1-Bromoheptane

N-isopropyliden-cyclohexyl amine

oct-1-ene

Downstream raw materials:

9-heptadecanol

di-(n-octyl)methylamine

4,4-dioctyl-4H-cyclopenta[2,1-b:3,4-b']dithiophene

3-octylundecyl p-toluenesulfonate

Refernces

• 1、 Chen, Yi-Ru,Zhang, Yong-Yun,Yeh, Ming-Che,Luo, Ying-Ting,Ong, Chi Wi. "Long-Range Self-Assembly of an Electron-Deficient Hexaazatrinaphthylene with Out-of-Plane Substituents". . p. 613 - 618. Retrieved 2019/12/24.
• 2、 Shi, Renyi,Hu, Xile. "From Alkyl Halides to Ketones: Nickel-Catalyzed Reductive Carbonylation Utilizing Ethyl Chloroformate as the Carbonyl Source". supporting information. p. 7454 - 7458. Retrieved 2019/04/30.