Methyl 3-methyl-2-butenoate - CAS 924-50-5

Catalog:	BB040516
Product Name:	Methyl 3-methyl-2-butenoate
CAS:	924-50-5
Synonyms:	methyl 3-methylbut-2-enoate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 3-methylbut-2-enoate
Description:	Methyl 3-methyl-2-butenoate (CAS# 924-50-5) is an impurity in the synthesis of Ciclopirox-d11 Sodium Salt.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	CC(=CC(=O)OC)C
InChI:	InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3
InChI Key:	FZIBCCGGICGWBP-UHFFFAOYSA-N
Boiling Point:	70-75 ℃ (60 mmHg)
Melting Point:	-41 ℃
Purity:	99 %
Density:	0.873 g/cm³
Appearance:	Colorless liquid
Storage:	Keep tightly closed. Keep away from heat, sparks, and open flame. Store in a cool dry place.
MDL:	MFCD00043940
LogP:	1.12560

Publication Number	Title	Priority Date
US-2021154330-A1	Hnqo1-activatable fluorescent probe for imaging cancer cells in-vitro and in-vivo	20191126
WO-2021014166-A1	Pyridine derivatives as tmem16a modulators for use in the treatment of respiratory conditions	20190724
US-2021000769-A1	Spermine pro-drugs	20190707
WO-2020245291-A1	Pyrrole derivatives as acc inhibitors	20190606
WO-2019214610-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180508

PMID	Publication Date	Title	Journal
22243393	20120207	GC/MS method for positive detection of Bacillus anthracis endospores	Analytical chemistry
19633879	20100301	Gas phase reactions of unsaturated esters with Cl atoms	Environmental science and pollution research international
15712355	20050401	Gas-phase reactivity of the O=P(OCH3)2 + phosphonium ion towards alpha,beta-unsaturated esters in a quadrupole ion trap	Journal of mass spectrometry : JMS
15740052	20050309	Identification of potent odorants in different cultivars of snake fruit [Salacca zalacca (Gaert.) Voss] using gas chromatography-olfactometry	Journal of agricultural and food chemistry
19787881	20050221	An experimental study of the gas-phase reaction of the NO3 radical with alpha,beta-unsaturated carbonyl compounds	Physical chemistry chemical physics : PCCP

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6