ALLYL ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H8O2
Molecular Weight	100.1158
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OCC=C

InChI

InChIKey=FWZUNOYOVVKUNF-UHFFFAOYSA-N

InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3

HIDE SMILES / InChI

Molecular Formula	C5H8O2
Molecular Weight	100.1158
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Doses

Dose	Population	Adverse events

PubMed

Title	Date	PubMed
Allyl compounds selectively killed human immunodeficiency virus (type 1)-infected cells.	1993 Jul 30	8343148
Inhibition of HIV-1 Rev-RRE interaction by diphenylfuran derivatives.	1996 Oct 22	8885849
Adsorption and kinetic studies of the intercalation of some organic compounds onto Na+-montmorillonite.	2002 Jan 1	16290342
Synthesis and structure of preorganized, C(3)-symmetric trilactam scaffolds with convergently oriented (S)-acetylthiomethyl appendages.	2002 Jun 27	12074685
Tetrazole synthesis via the palladium-catalyzed three component coupling reaction.	2003	15068080
Iron-catalyzed electrochemical allylation of carbonyl compounds by allylic acetates.	2003 Apr 18	12688781
Antitumour polycyclic acridines. Palladium(0) mediated syntheses of quino[4,3,2-kl]acridines bearing peripheral substituents as potential telomere maintenance inhibitors.	2003 Oct 7	14584801
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.	2005 Aug 3	16045321
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.	2006 Jul	17160105
TIMES-SS--a mechanistic evaluation of an external validation study using reaction chemistry principles.	2007 Sep	17713962
Building addressable libraries: site-selective Suzuki reactions on microelectrode arrays.	2009 Mar 19	19239260
Highly enantioselective Cu-catalyzed conjugate addition-elimination of activated allylic acetates with glycine derivatives.	2009 May 21	19358567
Enantioselective carbonyl reverse prenylation from the alcohol or aldehyde oxidation level employing 1,1-dimethylallene as the prenyl donor.	2009 May 27	19453190
Nickel-catalyzed, sodium iodide-promoted reductive dimerization of alkyl halides, alkyl pseudohalides, and allylic acetates.	2010 Aug 21	20582373
Enantioselective carbonyl allylation, crotylation, and tert-prenylation of furan methanols and furfurals via iridium-catalyzed transfer hydrogenation.	2010 Mar 5	20131774
Pd(II)-catalyzed highly selective arylation of allyl esters via C-H functionalization of unreactive arenes with retention of the traditional leaving group.	2010 May 3	20143374
A unified strategy targeting the thiodiketopiperazine mycotoxins exserohilone, gliotoxin, the epicoccins, the epicorazines, rostratin A and aranotin.	2010 Oct 11	20809554

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:41:02 GMT 2023` Edited by `admin` on `Fri Dec 15 16:41:02 GMT 2023`
Record UNII	E4U5E5990I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLYL ACETATE

Systematic Name

English

ACETIC ACID, ALLYL ESTER [HSDB]

Common Name

English

ALLYL ACETATE [MI]

Common Name

English

NSC-7612

Code

English

Code System Code Type Description

MESH

C498551