Methyl 2-Cyano-3-methyl-2-butenoate - CAS 6666-75-7

Catalog:	BB033076
Product Name:	Methyl 2-Cyano-3-methyl-2-butenoate
CAS:	6666-75-7
Synonyms:	2-cyano-3-methyl-2-butenoic acid methyl ester; methyl 2-cyano-3-methylbut-2-enoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-cyano-3-methylbut-2-enoate
Description:	Methyl 2-Cyano-3-methyl-2-butenoate (CAS# 6666-75-7) is used as a reactant in the preparation of pyrones and pyridines via cyclization of ylidenemalononitrile and ylidenecyanoacetate enamines.
Molecular Weight:	139.15
Molecular Formula:	C7H9NO2
Canonical SMILES:	CC(=C(C#N)C(=O)OC)C
InChI:	InChI=1S/C7H9NO2/c1-5(2)6(4-8)7(9)10-3/h1-3H3
InChI Key:	UQJYFFMPKAPLJX-UHFFFAOYSA-N
Boiling Point:	220.2 °C at 760 mmHg
Density:	1.037 g/cm³
Appearance:	Liquid
MDL:	MFCD00085476
LogP:	1.01938

Publication Number	Title	Priority Date
US-2017292022-A1	Sulfone polymer composition	20140903
EP-2731933-B1	2,3-diphenyl-valeronitrile derivatives, method for the production thereof and use thereof as herbicides and plant growth regulators	20110715
AU-2012277802-A1	Novel inhibitor compounds of phosphodiesterase type 10A	20110630
CA-2839655-A1	Novel inhibitor compounds of phosphodiesterase type 10a	20110630
EP-2726479-A1	Novel inhibitor compounds of phosphodiesterase type 10a	20110630

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.063328530
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	139.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5