200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1890-28-4
1890-28-4 | 3-Pentadienone
CAS No: 1890-28-4 Catalog No: AG002HOG MDL No:MFCD09754433
Product Description
Catalog Number:
AG002HOG
Chemical Name:
3-Pentadienone
CAS Number:
1890-28-4
Molecular Formula:
C5H6O
Molecular Weight:
82.1005
MDL Number:
MFCD09754433
IUPAC Name:
penta-1,4-dien-3-one
InChI:
InChI=1S/C5H6O/c1-3-5(6)4-2/h3-4H,1-2H2
InChI Key:
UCUUFSAXZMGPGH-UHFFFAOYSA-N
SMILES:
C=CC(=O)C=C
UNII:
F5WPQ70H2L
Properties
Complexity:
71.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.042g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.102g/mol
Monoisotopic Mass:
82.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases. | The Journal of biological chemistry 20111216 |
| Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography. | Journal of medicinal chemistry 20111013 |
| Peptidomimetics containing a vinyl ketone warhead as falcipain-2 inhibitors. | European journal of medicinal chemistry 20110601 |
| Organocatalytic tandem three-component reaction of imine, alkyl vinyl ketone, and imide via aza-Baylis-Hillman reaction. | The Journal of organic chemistry 20110415 |
| (1E,4E)-1,5-Bis(2,6-difluoro-phen-yl)penta-1,4-dien-3-one. | Acta crystallographica. Section E, Structure reports online 20110401 |
| Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes. | Organic & biomolecular chemistry 20110121 |
| (1E,4E)-1,5-Bis(2,4,6-trimeth-oxy-phen-yl)penta-1,4-dien-3-one. | Acta crystallographica. Section E, Structure reports online 20110101 |
| (2E,6E)-2,6-Bis(2-fluoro-5-meth-oxy-benzyl-idene)cyclo-hexan-1-one. | Acta crystallographica. Section E, Structure reports online 20101201 |
| A general scheme for synthesis of substrate-based polyketide labels for acyl carrier proteins. | Bioorganic & medicinal chemistry letters 20101001 |
| Synthesis of the spiroiminal moiety of marineosins A and B. | Organic letters 20100402 |
| Structure-activity relationship of C5-curcuminoids and synthesis of their molecular probes thereof. | Bioorganic & medicinal chemistry 20100201 |
| (1E,4E)-1,5-Bis(2,4,5-trimethoxy-phen-yl)penta-1,4-dien-3-one. | Acta crystallographica. Section E, Structure reports online 20100201 |
| Energy barriers of vinylidene carbene reactions from the anti-hermitian contracted Schrödinger equation. | The journal of physical chemistry. A 20100114 |
| Surface modifications of photocrosslinked biodegradable elastomers and their influence on smooth muscle cell adhesion and proliferation. | Acta biomaterialia 20090901 |
| Design, syntheses, and evaluation of Taspase1 inhibitors. | Bioorganic & medicinal chemistry letters 20090901 |
| Cyclization of cross-conjugated trienes: the vinylogous Nazarov reaction. | Journal of the American Chemical Society 20090610 |
| Methyl 3β-methoxy-carbon-yloxy-4,4-di-methyl-17-oxo-16α-(3-oxobut-yl)-16β-carboxylate. | Acta crystallographica. Section E, Structure reports online 20090601 |
| Inhibition of human glutathione S-transferases by curcumin and analogues. | Xenobiotica; the fate of foreign compounds in biological systems 20090401 |
| Temperature-dependent kinetics of the vinyl radical (C2H3) self-reaction. | The journal of physical chemistry. A 20090219 |
| Vinyl ketone reduction by three distinct Gluconobacter oxydans 621H enzymes. | Applied microbiology and biotechnology 20081001 |
| CAN-mediated highly regio- and stereoselective oxidation of vinylidenecyclopropanes: a novel method for the synthesis of unsymmetrical divinyl ketone and functional enone derivatives. | The Journal of organic chemistry 20080815 |
| Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. | European journal of medicinal chemistry 20080801 |
| Biodiversity of sphingoid bases ('sphingosines') and related amino alcohols. | Journal of lipid research 20080801 |
| Thioredoxin glutathione reductase from Schistosoma mansoni: an essential parasite enzyme and a key drug target. | PLoS medicine 20070601 |
| Ruthenium-Lewis acid catalyzed asymmetric Diels-Alder reactions between dienes and alpha,beta-unsaturated ketones. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Trypanothione reductase: a viable chemotherapeutic target for antitrypanosomal and antileishmanial drug design. | Drug target insights 20070101 |
| [Synthesis and anti-inflammatory activity of hydroxylated E,E-1-(3'-indolyl)-5-(substituted phenyl)-1,4-pentadien-3-one derivatives]. | Yao xue xue bao = Acta pharmaceutica Sinica 20060401 |
| Mercuric triflate-catalyzed reaction of propargyl acetates with water leading vinyl ketones. | Organic letters 20060202 |
| Irreversible inactivation of trypanothione reductase by unsaturated Mannich bases: a divinyl ketone as key intermediate. | Journal of medicinal chemistry 20051117 |
| Joint QTAIM and Hirshfeld study of the sigma and pi charge distribution and electron delocalization in carbonyl compounds: a comparative study with the resonance model. | The journal of physical chemistry. A 20050929 |
| Structure-activity relationships for reactivity of carbonyl-containing compounds with glutathione. | SAR and QSAR in environmental research 20050801 |
| Stereodivergent syntheses of anisomycin derivatives from D-tyrosine. | The Journal of organic chemistry 20050513 |
| Liver-targeted drug delivery using HepDirect prodrugs. | The Journal of pharmacology and experimental therapeutics 20050201 |
| Synthesis and pharmacological screening for muscle relaxant, anticonvulsant, and sedative activities of certain organic compounds produced by Michael addition. | Archives of pharmacal research 20041201 |
| Design, synthesis, and characterization of a series of cytochrome P(450) 3A-activated prodrugs (HepDirect prodrugs) useful for targeting phosph(on)ate-based drugs to the liver. | Journal of the American Chemical Society 20040428 |
| A new insight into the formation of odor active carbonyls by thermally-induced degradation of phospholipids in self-assembly structures. | Journal of agricultural and food chemistry 20040211 |
| About the conformations of alpha,beta-diunsaturated ketones. | Die Pharmazie 20031201 |
| Diverging stereochemical pathways in an intramolecular Diels-Alder reaction determined by dienophile structure. | Organic letters 20030807 |
| Head-to-tail dimerization of acrylates catalyzed by iridium complexes. | Chemical communications (Cambridge, England) 20030221 |
| Indanedione spin labelling of Na,K-ATPase. | Biochimica et biophysica acta 20021223 |
| A stereoselective synthesis of (+/-)-C-secolimonoid BCDE model compounds related to the insect antifeedant ohchinolide. | The Journal of organic chemistry 20011116 |
| Change of the reaction pattern by methodological variations in a multicomponent assembly promoted by Ni complexes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20010401 |
| A concise enantioselective synthesis of a key A-ring synthon for 1 alpha-hydroxyvitamin D3 compounds. | Organic letters 20010208 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.