METHYL CYANOACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H5NO2
Molecular Weight	99.088
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CC#N

InChI

InChIKey=ANGDWNBGPBMQHW-UHFFFAOYSA-N

InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H5NO2
Molecular Weight	99.088
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Catalytic asymmetric total syntheses of quinine and quinidine.	2004 Jan 28	14733531
Synthesis of 1,1-disubstituted-2,6-diarylcyclohexane-4-ones catalyzed by KF/basic Al2O3 under ultrasound.	2005 Aug	15848110
Guanosine analog in the pyrido[2,3-d]pyrimidine ring system as a potential toll-like receptor agonist.	2006	17067960
Thiourea-catalyzed asymmetric michael addition of activated methylene compounds to alpha,beta-unsaturated imides: dual activation of imide by intra- and intermolecular hydrogen bonding.	2006 Jul 26	16848477
Superacid-catalyzed intramolecular cyclization reaction of arylcyanopropionate: geminal substitution effect on superelectrophilicity.	2008 Jun 6	18476746

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:54:44 GMT 2023` Edited by `admin` on `Sat Dec 16 01:54:44 GMT 2023`
Record UNII	A28RI36V30
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL CYANOACETATE

Systematic Name

English

J4.029K

Code

English

NSC-3113

Code

English

NSC-68507

Code

English

CYANOACETIC ACID METHYL ESTER

Systematic Name

English

ACETIC ACID, 2-CYANO-, METHYL ESTER

Systematic Name

English

ACETIC ACID, CYANO-, METHYL ESTER

Systematic Name

English

METHYL .ALPHA.-CYANOACETATE

Systematic Name

English

USAF KF-22

Common Name

English

3-METHOXY-3-OXOPROPANENITRILE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

203-288-8