1-Phenyloctadecan-1-one

Base Information

• Chemical Name: 1-Phenyloctadecan-1-one
• CAS No.: 6786-36-3
• Molecular Formula: C24H40O
• Molecular Weight: 344.581
• Hs Code.: 2914399090
• European Community (EC) Number: 229-850-2
• NSC Number: 57587
• UNII: BB4MMD765T
• DSSTox Substance ID: DTXSID20218100
• Nikkaji Number: J208.821E
• Wikidata: Q83094865
• Mol file: 6786-36-3.mol

Synonyms:Octadecanophenone;6786-36-3;1-Phenyloctadecan-1-one;n-Octadecanophenone;Stearophenone;1-Octadecanone, 1-phenyl-;BB4MMD765T;EINECS 229-850-2;MFCD00010700;NSC-57587;NSC57587;Heptadecyl Phenyl Ketone;Octadecanophenone, 98%;1-Phenyl-1-octadecanone;UNII-BB4MMD765T;1-PHENYLOCTADECANONE;Octadecanophenone, >=99%;1-Phenyl-1-octadecanone #;NCIOpen2_007544;SCHEMBL962630;DTXSID20218100;AC9602;NSC 57587;AKOS015913022;BS-44105;SY051848;CS-0319584;FT-0636258;O0185

Chemical Property of 1-Phenyloctadecan-1-one

Chemical Property:

• Vapor Pressure: 1.98E-07mmHg at 25°C
• Melting Point: 65-67oC(lit.)
• Refractive Index: 1.6380 (estimate)
• Boiling Point: 425°Cat760mmHg
• Flash Point: 164.4°C
• PSA: 17.07000
• Density: 0.894g/cm³
• LogP: 8.13080
• XLogP3: 10
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 344.307915895
• Heavy Atom Count: 25
• Complexity: 291

Purity/Quality:

98% ^*data from raw suppliers

N-Octadecanophenone ^*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: CCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1

Technology Process of 1-Phenyloctadecan-1-one

There total 14 articles about 1-Phenyloctadecan-1-one 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: 89.0%

N-phenyl-N-tosylstearamide (19886-83-0) + phenylboronic acid (98-80-6) → octadecanophenone (6786-36-3)

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; potassium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 110 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5cc00430f

Reference yield: 82.0%

N-(3,5-bis(trifluoromethyl)phenyl)-N-tosylstearamide + sodium tetraphenyl borate (143-66-8) → octadecanophenone (6786-36-3)

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; potassium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 110 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.jorganchem.2015.07.009

Reference yield: 70.0%

ethyl 2-cyanooctadecanoate (61788-31-6) + phenylboronic acid (98-80-6) → octadecanophenone (6786-36-3)

Guidance literature:

With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine; In 1,2-dimethoxyethane; at 90 ℃; for 12h;

DOI:10.1039/c5nj01597a

upstream raw materials:

acetic acid stearic acid-anhydride

stearic acid

benzoic acid

Stearoyl chloride

Downstream raw materials:

1-Hexadecene

acetophenone

17-phenyltetratriacontan-17-ol

4-(tetratriacontan-17-yl)benzenesulfonic acid

Refernces

• 1、 Li, Xijing,Zou, Gang. "Palladium-catalyzed acylative cross-coupling of amides with diarylborinic acids and sodium tetraarylborates". . p. 136 - 145. Retrieved 2015/07/27.
• 2、 Peikert, Miroslawa,Chen, Xiadong,Chi, Lifeng,Brezesinski, Gerald,Janich, Simon,Wuerthwein, Ernst-Ulrich,Schaefer, Hans J.. "Phase behavior and molecular packing of octadecyl phenols and their methyl ethers at the air/water interface". . p. 5780 - 5789. Retrieved 2014/06/10.