Methyl 2-Butynoate - CAS 23326-27-4

Catalog:	BB018007
Product Name:	Methyl 2-Butynoate
CAS:	23326-27-4
Synonyms:	2-butynoic acid methyl ester; methyl but-2-ynoate

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BB018007	100 g	$358	In stock

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Computed Properties

IUPAC Name:	methyl but-2-ynoate
Description:	Methyl 2-Butynoate is an alkynoate used in preparation of various compounds such as preparation of phenanthrenes/benzoindolyl carboxylates.
Molecular Weight:	98.10
Molecular Formula:	C5H6O2
Canonical SMILES:	CC#CC(=O)OC
InChI:	InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3
InChI Key:	UJQCANQILFWSDJ-UHFFFAOYSA-N
Boiling Point:	76-77 °C at 80 mmHg
Density:	0.98 g/cm³
Appearance:	Colorless clear liquid
MDL:	MFCD00009273
LogP:	0.18270

Publication Number	Title	Priority Date
CN-113493442-A	Pyrrolidone derivative as glucokinase activator and its preparation method and use	20200403
TW-202107759-A	Electrolyte, secondary battery and module	20190605
TW-202107760-A	Electrolyte for alkaline metal ion secondary battery, alkaline metal ion secondary battery and module	20190605
WO-2020175404-A1	Reinforcing fiber, method for manufacturing same, and molded body using same	20190227
CN-111628217-A	Electrolyte for lithium ion secondary battery, and module	20190227

PMID	Publication Date	Title	Journal
23011385	20121114	Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes	Organic & biomolecular chemistry
20148212	20100227	Reactions of alkynes with phosphido niobocenes: a combined experimental and theoretical study	Dalton transactions (Cambridge, England : 2003)
18543967	20080704	Cobalt-catalyzed intermolecular [2 + 2 + 2] cycloaddition for the synthesis of 1,3-cyclohexadienes	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.036779430
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.036779430
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1