162358-03-4

Basic information

• Product Name: 1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-
• Synonyms: 1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-;2-(4-Octanoylphenyl)ethyl acetate;1-[4-[2-(Acetyloxy)ethyl]phenyl]-1-octanone;4-Octanoylphenethyl acetate
• CAS NO: 162358-03-4
• Molecular Formula: C₁₈H₂₆O₃
• Molecular Weight: 290
• Mol File: 162358-03-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 406.564 °C at 760 mmHg
• Flash Point: 176.039 °C
• Appearance: /
• Density: 1.003±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.0±0.0 mmHg at 25°C
• Refractive Index: 1.497
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-(162358-03-4)
• EPA Substance Registry System: 1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-(162358-03-4)

Safety Data

• Hazardous Substances Data: 162358-03-4(Hazardous Substances Data)

Usage

General Description

1-Octanone, 1-[4-[2-(acetyloxy) ethyl]phenyl]- is a complex organic compound categorized under the family of aromatic ketones. Its molecular structure comprises an octanone group, an acetyloxyethyl group, and a phenyl group. It is characterized by its aromatic properties derived from the phenyl group and the presence of a carbonyl group (C=O) from its ketone component. As with many chemicals, its biological and environmental effects, along with its usage, are likely subject to rigorous study and regulation. The specific characteristics such as its boiling point, melting point, or potential applications depend on how these chemical groups interact with each other and with external substances.

InChI:InChI=1S/C18H26O3/c1-3-4-5-6-7-8-18(20)17-11-9-16(10-12-17)13-14-21-15(2)19/h9-12H,3-8,13-14H2,1-2H3

Upstream product

• 111-64-8 n-octanoic acid chloride 
• 103-45-7 acetic acid phenethyl ester 
• 75-34-3 1,1-dichloroethane 
• 112-13-0 n-decanoyl chloride 
• 122-79-2 Phenyl acetate 
• 219307-07-0 4'-(2-hydroxyethyl)octanophenone 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 

Downstream Products

• 162358-04-5 acetic acid 2-(4-octylphenyl)ethyl ester 
• 162359-55-9 fingolimod 
• 162358-08-9 diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate 
• 162358-07-8 2-(4-octylphenyl)-1-iodoethane 
• 162358-05-6 2-(4-Octylphenyl)ethyl alcohol 
• 162358-06-7 4-octylphenethyl methanesulfonate 
• 296282-46-7 2-amino-2-hydroxymethyl-4-(4-octyl-phenyl)-butyric acid 
• 296282-78-5 N-[1-cyano-1-hydroxymethyl-3-(4-octylphenyl)propyl]acetamide 
• 1027589-49-6 3-[2-(4-octyl-phenyl)-ethyl]-2-oxo-tetrahydro-furan-3-carboxylic acid 
• 249289-10-9 N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl) butan-2-yl) acetamide 
• 1027929-75-4 3-[2-(4-octyl-phenyl)-ethyl]-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester 
• 296282-66-1 ethyl 2-acetamido-2-cyano-4-(4-octylphenyl)butyrate 
• 177259-57-3 2-Methoxycarbonylamino-2-[2-(4-octylphenyl)ethyl]-γ-butyrolactone 
• 177258-50-3 2-Methoxycarbonylamino-2-[2-(4-octylphenyl)ethyl]butane 1,4-diol 

Relevant articles and documents

PROCESS FOR PREPARATION OF FINGOLIMOD

The present invention provides a process for preparation of fingolimod, a compound of Formula I or a pharmaceutically acceptable salt thereof, free of regioisomeric impurity compound of Formula IA

SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE

Sphingosine 1-phosphate (S1P) is involved in hyper-proliferative diseases, such as cancer and vascular remodeling in pulmonary arterial hypertension. Inhibitors of sphingosine kinase 1 and 2 (SK1 and SK2), which catalyze the synthesis of S1P, may be useful anti- proliferative agents. We have synthesized a series of sphingosine-based inhibitors of SK and SK2. Also provided in this invention are compounds that activate SK1 which can be used in diseases such as fibrosis, where intracellular S1P is anti-fibrotic.

Synthesis of the key intermediate, diethyl 2-acetylamino-2-(2-(4- octanoylphenyl)ethyl)propane-1,3-dioate, of the immunomodulatory agent FTY720 (fingolimod)

The key intermediate, diethyl 2-acetylamino-2-(2-(4-octanoylphenyl)ethyl) propane-1,3-dioate (13), for the immunomodulatory agent FTY720 (2: fingolimod) was synthesized via Michael addition of diethyl(acetylamino) malonate (6) to 4-octanoylstyrene (12).