Home Other Building Blocks 3-Acetoxypropene

3-Acetoxypropene

CAS No.:
591-87-7
Catalog Number:
AG00EMLV
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$123
- +
5g
1 week
United States
$277
- +
10g
1 week
United States
$478
- +
Product Description
Catalog Number:
AG00EMLV
Chemical Name:
3-Acetoxypropene
CAS Number:
591-87-7
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00008721
IUPAC Name:
prop-2-enyl acetate
InChI:
InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InChI Key:
FWZUNOYOVVKUNF-UHFFFAOYSA-N
SMILES:
CC(=O)OCC=C
EC Number:
209-734-8
UNII:
E4U5E5990I
NSC Number:
7612
RTECS Number:
AF1750000
UN Number:
2333
Properties
Complexity:
76.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Atmospheric oxidation of vinyl and allyl acetate: product distribution and mechanisms of the OH-initiated degradation in the presence and absence of NO(x). Environmental science & technology 20120821
Rhodium-catalyzed redox allylation reactions of ketones. Chemical communications (Cambridge, England) 20120201
Synthesis of (-)-α-kainic acid via TMSCl-promoted Pd-catalyzed zinc-ene cyclization of an allyl acetate. The Journal of organic chemistry 20111007
Deacylative allylation: allylic alkylation via retro-Claisen activation. Journal of the American Chemical Society 20110921
Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction. Journal of the American Chemical Society 20110817
Palladium-catalyzed coupling of haloalkynes with allyl acetate: a regio- and stereoselective synthesis of (Z)-β-haloenol acetates. The Journal of organic chemistry 20110805
Achieving chemo-, regio-, and stereoselectivity in palladium-catalyzed reaction of γ-borylated allylic acetates. Organic letters 20110805
Efficient epoxidation of electron-deficient alkenes with hydrogen peroxide catalyzed by [γ-PW10O38V2(μ-OH)2]3-. Chemistry (Weinheim an der Bergstrasse, Germany) 20110627
Development of biomimetic catalytic oxidation methods and non-salt methods using transition metal-based acid and base ambiphilic catalysts. Proceedings of the Japan Academy. Series B, Physical and biological sciences 20110511
Enhanced anti-diastereo- and enantioselectivity in alcohol-mediated carbonyl crotylation using an isolable single component iridium catalyst. The Journal of organic chemistry 20110401
Coordination-insertion copolymerization of allyl monomers with ethylene. Journal of the American Chemical Society 20110209
A unified strategy targeting the thiodiketopiperazine mycotoxins exserohilone, gliotoxin, the epicoccins, the epicorazines, rostratin A and aranotin. Chemistry (Weinheim an der Bergstrasse, Germany) 20101011
Nickel-catalyzed, sodium iodide-promoted reductive dimerization of alkyl halides, alkyl pseudohalides, and allylic acetates. Chemical communications (Cambridge, England) 20100821
Iridium-catalyzed anti-diastereo- and enantioselective carbonyl (trimethylsilyl)allylation from the alcohol or aldehyde oxidation level. Journal of the American Chemical Society 20100707
Pd(II)-catalyzed highly selective arylation of allyl esters via C-H functionalization of unreactive arenes with retention of the traditional leaving group. Chemistry, an Asian journal 20100503
Rhodium-catalyzed reductive allylation of conjugated aldehydes with allyl acetate. The Journal of organic chemistry 20100416
Enantioselective carbonyl allylation, crotylation, and tert-prenylation of furan methanols and furfurals via iridium-catalyzed transfer hydrogenation. The Journal of organic chemistry 20100305
The Cl-initiated oxidation of CH(3)C(O)OCH=CH (2), CH (3)C(O)OCH (2)CH=CH (2), and CH (2)=CHC(O)O(CH (2)) (3)CH (3) in the troposphere. Environmental science and pollution research international 20090901
Enantioselective carbonyl reverse prenylation from the alcohol or aldehyde oxidation level employing 1,1-dimethylallene as the prenyl donor. Journal of the American Chemical Society 20090527
Highly enantioselective Cu-catalyzed conjugate addition-elimination of activated allylic acetates with glycine derivatives. Organic letters 20090521
Palladium nanoparticle-catalyzed C-N bond formation. A highly regio- and stereoselective allylic amination by allyl acetates. The Journal of organic chemistry 20090515
Building addressable libraries: site-selective Suzuki reactions on microelectrode arrays. Organic letters 20090319
anti-Diastereo- and enantioselective carbonyl crotylation from the alcohol or aldehyde oxidation level employing a cyclometallated iridium catalyst: alpha-methyl allyl acetate as a surrogate to preformed crotylmetal reagents. Journal of the American Chemical Society 20090225
Catalytic, nucleophilic allylation of aldehydes with allyl acetate. Organic letters 20090205
A comparative 90-day toxicity study of allyl acetate, allyl alcohol and acrolein. Toxicology 20081120
Enantioselective iridium-catalyzed carbonyl allylation from the alcohol or aldehyde oxidation level via transfer hydrogenative coupling of allyl acetate: departure from chirally modified allyl metal reagents in carbonyl addition. Journal of the American Chemical Society 20081105
Preparation of sigma- and pi-allylcopper(III) intermediates in SN2 and SN2' reactions of organocuprate(I) reagents with allylic substrates. Journal of the American Chemical Society 20080827
Enantioselective iridium-catalyzed carbonyl allylation from the alcohol or aldehyde oxidation level using allyl acetate as an allyl metal surrogate. Journal of the American Chemical Society 20080521
Efficient synthesis of the structural core of tetracyclines by a palladium-catalyzed domino Tsuji-Trost-Heck-Mizoroki reaction. Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Evaluation and application of the RD50 for determining acceptable exposure levels of airborne sensory irritants for the general public. Environmental health perspectives 20071101
Solvent-controlled highly selective bis- and monoallylation of active methylene compounds by allyl acetate with palladium(0) nanoparticle. Organic letters 20071025
TIMES-SS--a mechanistic evaluation of an external validation study using reaction chemistry principles. Chemical research in toxicology 20070901
Letter: Silver mediated ester bond formation in the gas phase: substrate structure is important. European journal of mass spectrometry (Chichester, England) 20070101
The nature of the chemical bond in linear three-body systems: from i3- to mixed chalcogen/halogen and trichalcogen moieties. Bioinorganic chemistry and applications 20070101
NTP Technical Report on the comparative toxicity studies of allyl acetate (CAS No. 591-87-7), allyl alcohol (CAS No. 107-18-6) and acrolein (CAS No. 107-02-8) administered by gavage to F344/N rats and B6C3F1 mice. Toxicity report series 20060701
Beta-alkyl-alpha-allylation of Michael acceptors through the palladium-catalyzed three-component coupling between allylic substrates, trialkylboranes, and activated olefins. The Journal of organic chemistry 20060317
Tyrosine-selective protein alkylation using pi-allylpalladium complexes. Journal of the American Chemical Society 20060201
Palladium pincer complex catalyzed substitution of vinyl cyclopropanes, vinyl aziridines, and allyl acetates with tetrahydroxydiboron. An efficient route to functionalized allylboronic acids and potassium trifluoro(allyl)borates. Journal of the American Chemical Society 20050803
Effectiveness of allyl acetate as a fumigant against five stored grain beetle pests. Pest management science 20050101
Stereodivergent and regioselective synthesis of 3,4-cis- and 3,4-trans-pyrrolidinediols from alpha-amino acids. Organic letters 20040624
Allylation of alcohols and carboxylic acids with allyl acetate catalyzed by [Ir(cod)2](+)BF4- complex. The Journal of organic chemistry 20040514
Antitumour polycyclic acridines. Palladium(0) mediated syntheses of quino[4,3,2-kl]acridines bearing peripheral substituents as potential telomere maintenance inhibitors. Organic & biomolecular chemistry 20031007
Iron-catalyzed electrochemical allylation of carbonyl compounds by allylic acetates. The Journal of organic chemistry 20030418
Tetrazole synthesis via the palladium-catalyzed three component coupling reaction. Molecular diversity 20030101
Kinetic and mechanistic study of the atmospheric oxidation by OH radicals of allyl acetate. Environmental science & technology 20021001
Synthesis and structure of preorganized, C(3)-symmetric trilactam scaffolds with convergently oriented (S)-acetylthiomethyl appendages. Organic letters 20020627
Ruthenium-catalyzed intramolecular oxidative amination of aminoalkenes enables rapid synthesis of cyclic imines. Journal of the American Chemical Society 20020116
Adsorption and kinetic studies of the intercalation of some organic compounds onto Na+-montmorillonite. Journal of colloid and interface science 20020101
An electrochemical coupling of organic halide with aldehydes, catalytic in chromium and nickel salts. the Nozaki-Hiyama-Kishi reaction. Organic letters 20010628
Inhibition of HIV-1 Rev-RRE interaction by diphenylfuran derivatives. Biochemistry 19961022
Allyl compounds selectively killed human immunodeficiency virus (type 1)-infected cells. Biochemical and biophysical research communications 19930730
Properties