14392-72-4

Basic information

• Product Name: 4-Hydroxyheptanophenone
• Synonyms: 4'-HYDROXYHEPTANOPHENONE;HEXYL 4-HYDROXYPHENYL KETONE;p-Hydroxyheptanophenone;4''-HYDROXY-N-HEPTANOPHENONE 98+%;1-(4-hydroxyphenyl)heptan-1-one;4-Heptanoylphenol;1-(4-Hydroxyphenyl)-1-heptanone;4-Hydroxyheptanophen
• CAS NO: 14392-72-4
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• Mol File: 14392-72-4.mol
• Article Data: 14

Chemical Properties

• Melting Point: 93°C
• Boiling Point: 220°C 15mm
• Flash Point: 149.8 °C
• Appearance: White crystal
• Density: 1.021 g/cm³
• Vapor Pressure: 2.01E-05mmHg at 25°C
• Refractive Index: 1.519
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 8.18±0.15(Predicted)
• CAS DataBase Reference: 4-Hydroxyheptanophenone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Hydroxyheptanophenone(14392-72-4)
• EPA Substance Registry System: 4-Hydroxyheptanophenone(14392-72-4)

Safety Data

• Hazard Codes: Xi,N,Xn
• Statements: 36/37/38-51/53-36-22
• Safety Statements: 26-36/37/39-61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 14392-72-4(Hazardous Substances Data)

Usage

Description

4-Hydroxyheptanophenone, with the molecular formula C14H18O2, is an organic compound characterized by a phenyl group attached to a ketone group and a hydroxyl group on the seventh carbon of the heptane chain. This versatile chemical is known for its unique structure and properties, making it a valuable intermediate in the synthesis of pharmaceuticals and other organic compounds.

Uses

Used in Pharmaceutical Industry:
4-Hydroxyheptanophenone is used as a chemical intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drug compounds. Its unique structure and properties make it a promising candidate for creating innovative medications.
Used in Flavor and Fragrance Industry:
In the food and beverage industry, 4-Hydroxyheptanophenone is utilized as a flavor and fragrance ingredient, adding unique scents and tastes to various products. Its versatility allows it to enhance the sensory experience of a wide range of consumables.
Used in Fine Chemicals Production:
4-Hydroxyheptanophenone has potential applications in the production of fine chemicals, where its unique structure and properties can be leveraged to create high-quality specialty chemicals for various industries.
Overall, 4-Hydroxyheptanophenone is a multifaceted chemical with numerous potential uses across different industries, including pharmaceuticals, food and beverage, and fine chemicals production. Its unique structure and properties make it a valuable asset in the development of new compounds and products.

InChI:InChI=1/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3

Upstream product

• 629-05-0 n-octyne 
• 106-51-4 p-benzoquinone 
• 108-95-2 phenol 
• 98-88-4 benzoyl chloride 
• 2528-61-2 Heptanoic acid chloride 
• 7446-70-0 aluminium trichloride 
• 56052-14-3 heptanoic acid phenyl ester 
• 98-95-3 nitrobenzene 
• 111-14-8 oenanthic acid 
• 629-08-3 heptanenitrile 
• 71597-85-8 (p-hydroxyphenyl)boronic acid 

Downstream Products

• 58187-29-4 1-[4-(3-tert-Butylamino-2-hydroxy-propoxy)-phenyl]-heptan-1-one 
• 69287-13-4 1-(4-methoxyphenyl)-1-heptanone 
• 1539285-80-7 C₁₄H₁₇F₃O₄S 
• 17403-97-3 4-(1-Hexylpent-1-enyl)-anisol 
• 17404-41-0 1-hexyl-1-(4-methoxyphenyl)heptane 
• 17404-03-4 4-<1-Hexyll-hepten-(1)-yl>-anisol 
• 17508-71-3 4-(1-Hexylheptyl)-phenol 
• 17404-35-2 4-(1-Butylheptyl)-anisol 
• 17508-62-2 4-(1-Butylheptyl)-phenol 
• 17572-30-4 2,6-Dinitro-4-(1-hexylheptyl)-phenol 
• 17726-35-1 2,6-Dinitro-4-(1-butylheptyl)-phenol 
• 38444-24-5 4-Methoxy-benzoic acid 4-heptyl-phenyl ester 
• 38444-25-6 4-Butoxy-benzoic acid 4-heptyl-phenyl ester 
• 38444-23-4 4-Hexyl-benzoic acid 4-heptyl-phenyl ester 

Relevant articles and documents

Visible Light-Mediated [2 + 2] Cycloaddition Reactions of 1,4-Quinones and Terminal Alkynes

A single-step synthesis of 4-hydroxy-functionalized bi-aryl and aryl/alkyl ketones via oxidative coupling of terminal alkynes with benzoquinones is reported. Furthermore, with naphthoquinones, owing to the cross-resonance of carbonyl with the aromatic ring, alkene-alkyne cycloaddition is more favored to give four-membered carbocyclic adducts, thereby precluding the requirement of preactivated alkynes.

Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C C Triple Bond Cleavage

Direct oxidative coupling of phenols and terminal alkynes was achieved at room temperature by a visible-light-mediated copper-catalyzed photoredox process. This method allows regioselective synthesis of hydroxyl-functionalized aryl and alkyl ketones from simple phenols and phenylacetylene via C C triple bond cleavage. 47 examples were presented. From a synthetic perspective, this protocol offers an efficient synthetic route for the preparation of pharmaceutical drugs, such as pitofenone and fenofibrate.

Synthesis, biochemical evaluation and rationalisation of a series of 3,5- dibromo derivatives of 4-hydroxyphenyl ketone-based compounds as probes of the active site of type 3 of 17β-hydroxysteroid dehydrogenase (17β-hsd3) and the role of hydrogen bonding interaction in the inhibition of 17β-HSD3

We report the synthesis, evaluation and rationalisation of the inhibitory activity of a series of 3,5-dibromo derivatives of 4-hydroxyphenyl ketone as probes of the active site of the type 3 of 17β-hydroxysteroid dehydrogenase (17β-HSD3). The results support the important role of hydrogen bonding interaction in the inhibition of 17β-HSD3.