10541-56-7

Basic information

• Product Name: 4'-N-OCTYLACETOPHENONE
• Synonyms: P-OCTYLACETOPHENONE;TIMTEC-BB SBB008323;1-(4-octylphenyl)-ethanon;Acetophenone, 4'-octyl-;Ethanone, 1-(4-octylphenyl)-;p-n-Octylacetophenone;1-(4-OCTYL-PHENYL)ETHANONE;4'-N-OCTYLACETOPHENONE
• CAS NO: 10541-56-7
• Molecular Formula: C₁₆H₂₄O
• Molecular Weight: 232.36
• Product Categories: Acetophenones (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Fingolimod intermediate
• Mol File: 10541-56-7.mol
• Article Data: 20

Chemical Properties

• Melting Point: 18 °C
• Boiling Point: 152-153°C 1mm
• Flash Point: 152-153°C/1mm
• Appearance: white powder
• Density: 0.919
• Vapor Pressure: 8.38E-05mmHg at 25°C
• Refractive Index: 1.4970 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4'-N-OCTYLACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-N-OCTYLACETOPHENONE(10541-56-7)
• EPA Substance Registry System: 4'-N-OCTYLACETOPHENONE(10541-56-7)

Safety Data

• Safety Statements: 24/25
• TSCA: Yes
• Hazardous Substances Data: 10541-56-7(Hazardous Substances Data)

Usage

Uses

4''-Octylacetophenone is an intermediate in the synthesis of Diethyl 2-Acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl]malonate (D443140), a reactant that has been used in the preparation of the immunosuppressive agent FRY-720 (F805000).

InChI:InChI=1/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3

Upstream product

• 2189-60-8 Octylbenzene 
• 75-36-5 acetyl chloride 
• 58589-72-3 n-octyltrifluorosilane 
• 109613-00-5 4-acetophenyl triflate 
• 108-24-7 acetic anhydride 
• 111-85-3 n-chlorooctane 
• 149104-90-5 4-acetylphenylboronic acid 
• 2550-26-7 4-Phenyl-2-butanone 
• 133997-05-4 (4-octylphenyl)boronic acid 
• 99-90-1 para-bromoacetophenone 
• 872-05-9 1-Decene 
• 14850-23-8 trans-4-Octene 
• 13329-40-3 4-Iodoacetophenone 
• 629-27-6 1-Iodooctane 

Downstream Products

• 1233091-81-0 5-(4-octylphenyl)-1,3,4-thiadiazol-2-amine 
• 1369885-79-9 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethyl-N-(5-(4-octylphenyl)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide 
• 3575-31-3 4-octylbenzoic acid 
• 268557-49-9 2-(acetylamino)-2-[2-(4-octylphenyl)-2-oxo-ethyl]propanedioic acid diethyl ester 
• 1620230-20-7 N-[1,1-bis(hydroxymethyl)-3chloro-(4-octylphenyl)propyl]acetamide 
• 249289-10-9 N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl) butan-2-yl) acetamide 
• 162359-55-9 fingolimod 
• 1620230-21-8 N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)allyl]acetamide 
• 1620230-22-9 2-amino-2-[2-(4-octylphenyl)vinyl]propane-1,3-diol 
• 93-58-3 benzoic acid methyl ester 
• 63250-27-1 4-n-octyldibenzoylmethane 
• 64068-76-4 α-bromomethyl p(n-octyl)phenyl cetone 
• 94775-64-1 Potassium; 2-[1-hydroxy-2-(4-octyl-phenyl)-2-oxo-ethyl]-3-oxo-hexanoate 
• 94775-73-2 2-Hydroxy-1-(4-octyl-phenyl)-heptane-1,4-dione 

Relevant articles and documents

Selective Activation of Unstrained C(O)-C Bond in Ketone Suzuki-Miyaura Coupling Reaction Enabled by Hydride-Transfer Strategy

A Rh(I)-catalyzed ketone Suzuki-Miyaura coupling reaction of benzylacetone with arylboronic acid is developed. Selective C(O)-C bond activation, which employs aminopyridine as a temporary directing group and ethyl vinyl ketone as a hydride acceptor, occurs on the alkyl chain containing a β-position hydrogen. A series of acetophenone products were obtained in yields up to 75%.

Terminal-Selective C(sp3)-H Arylation: NiH-Catalyzed Remote Hydroarylation of Unactivated Internal Olefins

A terminal-selective migratory hydroarylation of unactivated olefins has been developed though a NiH-catalyzed alkene isomerization-hydroarylation relay process. This sp3C-H arylation was achieved with a simple pyrox ligand under mild conditions. The practicality and synthetic flexibility of the method is highlighted by the successful regioconvergent conversion of isomeric mixtures of alkenes to value-added linear arylation products on a gram scale.

INTERMEDIATES AND PROCESS FOR THE PREPARATION OF HIGH PURITY FINGOLIMOD HYDROCHLORIDE

The present invention relates to a simple and commercially feasible preparation of Fingolimod hydrochloride with high purity of greater than 99.9%. The.present invention also provides novel intermediates for the preparation of Fingolimod Hydrochloride of Formula 1.