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122-57-6,MFCD00008779
Catalog No.:AA0016GA

122-57-6 | 4-Phenylbut-3-en-2-one

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0016GA
Chemical Name:
4-Phenylbut-3-en-2-one
CAS Number:
122-57-6
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
MDL Number:
MFCD00008779
SMILES:
CC(=O)C=Cc1ccccc1
NSC Number:
5605
FEMA Number:
2881
Properties
Properties
 
BP:
260.8°C at 760 mmHg  
Form:
Solid  
MP:
39-42 °C  
Refractive Index:
1.5836  
Solubility:
Soluble in alcohol, chloroform, diethyl ether.  
Stability:
Light Sensitive  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.1  

Literature

Title: Design, synthesis and exploring the quantitative structure-activity relationship of some antioxidant flavonoid analogues.

Journal: Bioorganic & medicinal chemistry letters 20141101

Title: Gas phase retro-Michael reaction resulting from dissociative protonation: fragmentation of protonated warfarin in mass spectrometry.

Journal: Journal of mass spectrometry : JMS 20120801

Title: Toxicology and carcinogenesis studies of methyl trans-styryl ketone (CAS NO 1896-62-4) in F344/N rats and B6C3F1 mice (feed and dermal studies).

Journal: National Toxicology Program technical report series 20120501

Title: Synthesis of the pyridinyl analogues of dibenzylideneacetone (pyr-dba) via an improved Claisen-Schmidt condensation, displaying diverse biological activities as curcumin analogues.

Journal: Organic & biomolecular chemistry 20120214

Title: Relating skin sensitizing potency to chemical reactivity: reactive Michael acceptors inhibit NF-κB signaling and are less sensitizing than S(N)Ar- and S(N)2- reactive chemicals.

Journal: Chemical research in toxicology 20111121

Title: Bacterial metabolites of an entomopathogenic bacterium, Xenorhabdus nematophila, inhibit a catalytic activity of phenoloxidase of the diamondback moth, Plutella xylostella.

Journal: Journal of microbiology and biotechnology 20110301

Title: Benzylideneacetone, an eicosanoid biosynthesis inhibitor enhances baculovirus pathogenicity in the diamondback moth, Plutella xylostella.

Journal: Journal of invertebrate pathology 20110201

Title: The enzymatic asymmetric conjugate umpolung reaction.

Journal: Angewandte Chemie (International ed. in English) 20100903

Title: Synthesis and anti-inflammatory activity of novel (substituted)benzylidene acetone oxime ether derivatives: molecular modeling study.

Journal: European journal of medicinal chemistry 20100401

Title: Analgesic, anticonvulsant and anti-inflammatory activities of some synthesized benzodiazipine, triazolopyrimidine and bis-imide derivatives.

Journal: European journal of medicinal chemistry 20091201

Title: DNA-targeting pyrroloquinoline-linked butenone and chalcones: synthesis and biological evaluation.

Journal: European journal of medicinal chemistry 20090701

Title: Quantitative structure-activity relationship modeling of antioxidant activities of hydroxybenzalacetones using quantum chemical, physicochemical and spatial descriptors.

Journal: Chemical biology & drug design 20090501

Title: Highly enantioselective organocatalytic conjugate addition of nitromethane to benzylidene acetones.

Journal: Chirality 20081101

Title: Crystallization and preliminary crystallographic analysis of a plant type III polyketide synthase that produces benzalacetone.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications 20080401

Title: Benzylideneacetone, an immunosuppressant, enhances virulence of Bacillus thuringiensis against beet armyworm (Lepidoptera: Noctuidae).

Journal: Journal of economic entomology 20080201

Title: Microbial production of 4-hydroxybenzylidene acetone, the direct precursor of raspberry ketone.

Journal: Letters in applied microbiology 20070701

Title: Structure function analysis of benzalacetone synthase from Rheum palmatum.

Journal: Bioorganic & medicinal chemistry letters 20070601

Title: Highly asymmetric Michael addition to alpha,beta-unsaturated ketones catalyzed by 9-amino-9-deoxyepiquinine.

Journal: Angewandte Chemie (International ed. in English) 20070101

Title: Dehydrozingerone, chalcone, and isoeugenol analogues as in vitro anticancer agents.

Journal: Journal of natural products 20061001

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Concise asymmetric total synthesis of obolactone.

Journal: The Journal of organic chemistry 20060331

Title: Metabolism of the alpha,beta-unsaturated ketones, chalcone and trans-4-phenyl-3-buten-2-one, by rat liver microsomes and estrogenic activity of the metabolites.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20050801

Title: Antioxidant effects of hydroxybenzalacetones on peroxynitrite-induced lipid peroxidation in red blood cell membrane ghost and SOS response in Salmonella typhimurium TA4107/pSK1002.

Journal: Chemical & pharmaceutical bulletin 20050801

Title: Quantitative structure-activity relationship analyses of antioxidant and free radical scavenging activities for hydroxybenzalacetones.

Journal: Bioorganic & medicinal chemistry letters 20041115

Title: Identification of an antibacterial compound, benzylideneacetone, from Xenorhabdus nematophila against major plant-pathogenic bacteria.

Journal: FEMS microbiology letters 20041015

Title: Site-directed mutagenesis of benzalacetone synthase. The role of the Phe215 in plant type III polyketide synthases.

Journal: The Journal of biological chemistry 20030704

Title: Enzymatic formation of an unnatural C(6)-C(5) aromatic polyketide by plant type III polyketide synthases.

Journal: Organic letters 20021017

Title: Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.

Journal: Bioorganic & medicinal chemistry letters 20020902

Title: Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20020401

Title: Antioxidative function and substrate specificity of NAD(P)H-dependent alkenal/one oxidoreductase. A new role for leukotriene B4 12-hydroxydehydrogenase/15-oxoprostaglandin 13-reductase.

Journal: The Journal of biological chemistry 20011102

Title: Role of 4-phenyl-3-buten-2-one in boar taint: identification of new compounds related to sensorial descriptors in pig fat.

Journal: Journal of agricultural and food chemistry 20011101

Title: Structure-antimutagenic activity relationships of benzalacetone derivatives against UV-induced mutagenesis in E. coli WP2uvrA and gamma-induced mutagenesis in Salmonella typhimurium TA2638.

Journal: Mutation research 20010301

Title: Parallel induction of heme oxygenase-1 and chemoprotective phase 2 enzymes by electrophiles and antioxidants: regulation by upstream antioxidant-responsive elements (ARE).

Journal: Molecular medicine (Cambridge, Mass.) 19951101

Title: Electrophile and antioxidant regulation of enzymes that detoxify carcinogens.

Journal: Proceedings of the National Academy of Sciences of the United States of America 19950912

Title: Hepatic glutathione S-transferases in mice fed on a diet containing the anticarcinogenic antioxidant butylated hydroxyanisole. Isolation of mouse glutathione S-transferase heterodimers by gradient elution of the glutathione-Sepharose affinity matrix.

Journal: The Biochemical journal 19910715

Title: Antigenic competition in the induction of contact sensitivity in the guinea pig.

Journal: International archives of allergy and applied immunology 19850101

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