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
Ruthenium-catalyzed intramolecular oxidative amination of aminoalkenes enables rapid synthesis of cyclic imines.	2002 Jan 16	11782166
Stereodivergent and regioselective synthesis of 3,4-cis- and 3,4-trans-pyrrolidinediols from alpha-amino acids.	2004 Jun 24	15200338
Allylation of alcohols and carboxylic acids with allyl acetate catalyzed by [Ir(cod)2](+)BF4- complex.	2004 May 14	15132558
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
Tyrosine-selective protein alkylation using pi-allylpalladium complexes.	2006 Feb 1	16433516
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
Efficient synthesis of the structural core of tetracyclines by a palladium-catalyzed domino Tsuji-Trost-Heck-Mizoroki reaction.	2008	18200642
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.	2009 Feb 25	19191498
Building addressable libraries: site-selective Suzuki reactions on microelectrode arrays.	2009 Mar 19	19239260
Palladium nanoparticle-catalyzed C-N bond formation. A highly regio- and stereoselective allylic amination by allyl acetates.	2009 May 15	19382763
Enantioselective carbonyl reverse prenylation from the alcohol or aldehyde oxidation level employing 1,1-dimethylallene as the prenyl donor.	2009 May 27	19453190
Rhodium-catalyzed reductive allylation of conjugated aldehydes with allyl acetate.	2010 Apr 16	20232839
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