Tetradecanophenone

Base Information

• Chemical Name: Tetradecanophenone
• CAS No.: 4497-05-6
• Molecular Formula: C20H32 O
• Molecular Weight: 288.473
• Hs Code.: 2914399090
• European Community (EC) Number: 224-790-3
• NSC Number: 18795
• UNII: 6Z2IU8420X
• DSSTox Substance ID: DTXSID0063496
• Nikkaji Number: J605J
• Wikidata: Q81990778
• Mol file: 4497-05-6.mol

Synonyms:Tetradecanophenone;4497-05-6;Myristophenone;1-phenyltetradecan-1-one;Tridecyl phenyl ketone;N-TETRADECANOPHENONE;1-Tetradecanone, 1-phenyl-;Ketone, phenyl tridecyl;Phenyl Tridecyl Ketone;6Z2IU8420X;NSC-18795;Tetradecanophenone, 95%;1-Phenyl-1-tetradecanone;1-Phenyl-1-tetradecanone #;SCHEMBL967963;UNII-6Z2IU8420X;DTXSID0063496;NSC18795;EINECS 224-790-3;MFCD00008985;NSC 18795;AKOS009158826;CS-0452625;T0804;D92397

Chemical Property of Tetradecanophenone

Chemical Property:

• Vapor Pressure: 2.17E-05mmHg at 25°C
• Melting Point: 46-52 °C(lit.)
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 212 °C12 mm Hg(lit.)
• Flash Point: 146.7°C
• PSA: 17.07000
• Density: 0.904g/cm³
• LogP: 6.57040
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 288.245315640
• Heavy Atom Count: 21
• Complexity: 240

Purity/Quality:

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

Tetradecanophenone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)C1=CC=CC=C1

Technology Process of Tetradecanophenone

There total 15 articles about Tetradecanophenone 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%

1-dodecyl alcohol (112-53-8) + acetophenone (98-86-2) → 1-phenyl-tetradecan-1-one (4497-05-6)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium hydroxide; at 110 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1002/cjoc.201200524

Reference yield: 78.0%

1-dodecyl alcohol (112-53-8) + 1-Phenylethanol (98-85-1,13323-81-4) → 1-phenyl-tetradecan-1-one (4497-05-6)

Guidance literature:

With C₃₀H₄₃ClCoN₂P₃⁽¹⁺⁾*Cl^(1-); potassium tert-butylate; In toluene; at 125 ℃; for 24h; Inert atmosphere; Glovebox;

DOI:10.1021/acs.orglett.9b02727

Reference yield: 73.0%

1-phenyl-cyclotetradecanol → 1-phenyl-tetradecan-1-one (4497-05-6)

Guidance literature:

at 650 ℃; under 1.50012 Torr;

upstream raw materials:

myristonitrile

n-tetradecanoic acid

benzoic acid

benzene

Downstream raw materials:

7-phenyl-eicosane

7-cyclohexyl-eicosane

1-phenyltetradecan-1-ol

tetradecylbenzene

Refernces

• 1、 Pandey, Bedraj,Xu, Shi,Ding, Keying. "Selective Ketone Formations via Cobalt-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols". supporting information. p. 7420 - 7423. Retrieved 2019/10/02.
• 2、 Kuecuek, Hatice Baspinar,Yusufoglu, Ayse. "Synthesis of new chiral and racemic 1,3-dioxolanes". . p. 1066 - 1070,5. Retrieved 2012/12/12.