94135-08-7

Basic information

• Product Name: 4-(3-oxobutyl)phenyl benzoate
• Synonyms: 4-(3-oxobutyl)phenyl benzoate;Benzoic acid 4-(3-oxobutyl)phenyl ester
• CAS NO: 94135-08-7
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.30714
• EINECS: 302-876-2
• Mol File: 94135-08-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 406.6°Cat760mmHg
• Flash Point: 179.5°C
• Appearance: /
• Density: 1.137g/cm³
• Vapor Pressure: 8.06E-07mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 4-(3-oxobutyl)phenyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-oxobutyl)phenyl benzoate(94135-08-7)
• EPA Substance Registry System: 4-(3-oxobutyl)phenyl benzoate(94135-08-7)

Safety Data

• Hazardous Substances Data: 94135-08-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C17H16O3/c1-13(18)7-8-14-9-11-16(12-10-14)20-17(19)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3

Upstream product

• 98200-87-4 4-(3-hydroxybutyl)phenyl benzoate 
• 98-88-4 benzoyl chloride 
• 5471-51-2 4-(4-hydroxyphenyl)-2-oxobutane 

Downstream Products

• 562810-30-4 (6E)-1-(4-benzoyloxyphenyl)-5-hydroxy-7-phenylhept-6-en-3-one 
• 562810-29-1 (6E)-1-(4-benzoyloxyphenyl)-7-phenyl-5-trimethylsilyloxy-hept-6-en-3-one 
• 562810-31-5 (4E,6E)-1-(4-benzoyloxyphenyl)-7-phenylhepta-4,6-dien-3-one 
• 562810-28-0 (4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one 

Relevant articles and documents

Oxidation of secondary alcohols using solid-supported hypervalent iodine catalysts

It is shown how secondary alcohols are oxidized to provide the corresponding ketones by use of Oxone and solid-supported hypervalent iodine catalysts. Under experimentally simple conditions with acetonitrile at elevated temperatures, excellent conversions were achieved with low catalyst loadings (0.2-5 mol%) when employing the conjugates 5 and 6 derived from IBX and IBS. The catalysts are broadly applicable to a range of alcohol substrates. Of primary importance with respect to sustainability issues, the metal-free catalysts are easily removed from the reaction mixture through filtration, and they can be re-used in oxidation processes for multiple times, without loss of catalytic activity.

Rational design, synthesis and structure-activity relationships of 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues as novel tyrosinase inhibitors

In continuing our program aimed to search for potent compounds as highly efficient tyrosinase inhibitors, here a series of novel 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues were designed, synthesized and their biological activities on mushroom tyrosinase were evaluated. Notably, most of compounds displayed remarkable tyrosinase inhibitory activities with IC50 value of lower than 1.0 μM. Furthermore, the structure-activity relationships (SARs) were discussed and the inhibition mechanism and the inhibitory kinetics of selected compounds 7k and 8d were also investigated. Taken together, these results suggested that such compounds could serve as the promising candidates for the treatment of tyrosinase-related disorders and further development of such compounds might be of great interest.