4-Heptadecanone

Base Information

• Chemical Name: 4-Heptadecanone
• CAS No.: 53685-77-1
• Molecular Formula: C17H34 O
• Molecular Weight: 254.456
• Hs Code.: 2914190090
• European Community (EC) Number: 258-705-6
• NSC Number: 158510
• UNII: T7X56JDK2Q
• DSSTox Substance ID: DTXSID10201940
• Nikkaji Number: J296.017F
• Wikidata: Q83075176
• Mol file: 53685-77-1.mol

Synonyms:4-Heptadecanone;Heptadecan-4-one;53685-77-1;EINECS 258-705-6;NSC-158510;NSC158510;T7X56JDK2Q;SCHEMBL2284939;DTXSID10201940;MFCD00026599;NSC 158510

Chemical Property of 4-Heptadecanone

Chemical Property:

• Vapor Pressure: 0.000275mmHg at 25°C
• Melting Point: 39-41°C
• Refractive Index: 1.4465 (estimate)
• Boiling Point: 322.7°C at 760 mmHg
• Flash Point: 83.6°C
• PSA: 17.07000
• Density: 0.83g/cm³
• LogP: 6.05670
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 254.260965704
• Heavy Atom Count: 18
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

4-HEPTADECANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)CCC

Technology Process of 4-Heptadecanone

There total 9 articles about 4-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:

1-tridecene (2437-56-1) + butyraldehyde (123-72-8) → heptadecan-4-one (53685-77-1) + C30H60O

Guidance literature:

With benzophenone; N-hydroxyphthalimide; at 25 ℃; for 24h; Overall yield = 70 percent; Overall yield = 71.8 mg; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/chem.202004946

Reference yield:

n-tetradecanoic acid (544-63-8) + butyric acid (107-92-6) → heptadecan-4-one (53685-77-1)

Guidance literature:

With thorium dioxide; at 400 ℃;

Reference yield:

4-heptadecanol (103385-34-8) → heptadecan-4-one (53685-77-1)

Guidance literature:

With potassium dichromate; sulfuric acid;

DOI:10.1051/epjap:2001193

upstream raw materials:

4-heptadecanol

myristonitrile

propylmagnesium iodide

1-Iodododecane

Downstream raw materials:

4-heptadecanol

(S)-4-heptadecanol

(-)-3-Hydroxy-heptadecan

Refernces

• 1、 Bloomer,Eder,Hoffman. "Biosynthesis of (plus)-protolichesterinic acid in Cetraria islandica.". . p. 1848 - 1850. Retrieved 2007/10/07.