Pentadecanophenone

Base Information

• Chemical Name: Pentadecanophenone
• CAS No.: 4669-04-9
• Molecular Formula: C21H34O
• Molecular Weight: 302.5
• NSC Number: 88948
• DSSTox Substance ID: DTXSID90293368
• Nikkaji Number: J2.538.802J
• Wikidata: Q82032062
• Mol file: 4669-04-9.mol

Synonyms:Pentadecanophenone;4669-04-9;1-phenylpentadecan-1-one;NSC88948;Phenyl Tetradecyl Ketone;SCHEMBL965308;DTXSID90293368;SDNCECLJQYEDRK-UHFFFAOYSA-N;MFCD20257914;NSC-88948;CS-0452695;P1903;D92170

Chemical Property of Pentadecanophenone

Chemical Property:

• Vapor Pressure: 9.9E-07mmHg at 25°C
• Melting Point: 48.0 to 52.0 °C
• Boiling Point: 403.8°C at 760 mmHg
• Flash Point: 151.3°C
• PSA: 17.07000
• Density: 0.901g/cm³
• LogP: 6.96050
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 302.260965704
• Heavy Atom Count: 22
• Complexity: 253

Purity/Quality:

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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentadecanophenone

There total 4 articles about Pentadecanophenone 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%

1-Phenylcyclopentadecanol (53668-57-8) → 1-phenylpentadecan-1-one (4669-04-9)

Guidance literature:

at 650 ℃; under 1.50012 Torr;

Reference yield: 71.0%

1-tetradecene (1120-36-1) + benzaldehyde (100-52-7) → 1-phenylpentadecan-1-one (4669-04-9)

Guidance literature:

With dipotassium peroxodisulfate; methylene blue; potassium carbonate; In water; at 25 ℃; for 12h; Irradiation; Green chemistry;

DOI:10.1021/acs.joc.8b01026

Reference yield: 3.8%

trihexyl(tetradecyl)phosphonium chloride (258864-54-9) + sodium benzoate (532-32-1) → Heptanophenone (1671-75-6) + 1-phenylpentadecan-1-one (4669-04-9)

Guidance literature:

With sodium carbonate; at 180 ℃; for 0.333333h; microwave irradiation;

DOI:10.1016/j.tetlet.2007.10.131

upstream raw materials:

pentadecanoyl chloride

benzene

1-Phenylcyclopentadecanol

trihexyl(tetradecyl)phosphonium chloride

Downstream raw materials:

1-phenyl-pentadecan-1-ol

(R)-1-phenyl-1-pentadecanol

(S)-1-phenyl-1-pentadecanol

C₂₃H₃₈O₂

Refernces

• 1、 Tseng, Ming-Chung,Kan, Huang-Chuan,Chu, Yen-Ho. "Reactivity of trihexyl(tetradecyl)phosphonium chloride, a room-temperature phosphonium ionic liquid". . p. 9085 - 9089. Retrieved 2008/09/16.