15-Phenylpentadecanoic acid

Base Information

• Chemical Name: 15-Phenylpentadecanoic acid
• CAS No.: 40228-93-1
• Molecular Formula: C21H34O2
• Molecular Weight: 318.5
• Hs Code.: 2916399090
• European Community (EC) Number: 254-849-9
• UNII: 18213V2KRN
• DSSTox Substance ID: DTXSID50193219
• Nikkaji Number: J332.388I
• Wikidata: Q27251961
• Metabolomics Workbench ID: 74885
• Mol file: 40228-93-1.mol

Synonyms:15-Phenylpentadecanoic acid;40228-93-1;Benzenepentadecanoic acid;15-PHENYLPENTADECANOICACID;15-phenyl pentadecanoic acid;UNII-18213V2KRN;15-PHENYLPENTADECANCARBOXYLIC ACID (PPA);18213V2KRN;EINECS 254-849-9;15-Phenyl-pentadecanecarboxylic acid;15-phenyl-pentadecanoic acid;SCHEMBL2551105;DTXSID50193219;CHEBI:186236;LMFA01140030;LMFA01140068;MFCD00040777;CS-0363794;FT-0758789;Q27251961

Chemical Property of 15-Phenylpentadecanoic acid

Chemical Property:

• Vapor Pressure: 4.65E-09mmHg at 25°C
• Melting Point: 59-61 °C
• Refractive Index: 1.5
• Boiling Point: 454.7 °C at 760 mmHg
• Flash Point: 351.3 °C
• PSA: 37.30000
• Density: 0.96 g/cm³
• LogP: 6.38500
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 318.255880323
• Heavy Atom Count: 23
• Complexity: 269

Purity/Quality:

98%min ^*data from raw suppliers

15-Phenylpentadecanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 15-Phenylpentadecanoic acid

There total 18 articles about 15-Phenylpentadecanoic acid 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: 91.0%

15-Phenyl-pentadecanenitrile (104827-29-4) → ω-phenyl pentadecanoic acid (40228-93-1)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield: 82.0%

14-keto-15-phenyl-tetradecacarboxylic acid (156632-09-6) → ω-phenyl pentadecanoic acid (40228-93-1)

Guidance literature:

With sodium; hydrazine hydrate; In diethylene glycol; a) reflux, 1 h, b) 200 deg C, 3 h;

DOI:10.1248/cpb.42.392

Reference yield:

(6E,14Z)-15-Phenyl-pentadeca-6,14-dienoic acid → ω-phenyl pentadecanoic acid (40228-93-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; Yield given;

DOI:10.1248/cpb.45.685

upstream raw materials:

13-oxo-15-phenyl-pentadecanoic acid

15-Phenyl-pentadecanenitrile

14-keto-15-phenyl-tetradecacarboxylic acid

cis-Cyclooctene

Downstream raw materials:

ω-phenyl pentadecanoic acid methyl ester

methyl 15-(p-iodophenyl)pentadecanoate

15-(p-iodophenyl)pentadecanoic acid

15-phenyl-pentadecanoyl-chloride

Refernces

• 1、 Siatra-Papastaikoudi,Papadaki-Valiraki,Tsantili-Kakoulidou,Tzouvelekis,Mentis. "Synthesis, lipophilicity studies and antibacterial properties of some novel quaternary ammonium salts". . p. 392 - 394. Retrieved 2007/10/02.