Ethyl 2,3-butadienoate - CAS 14369-81-4
Catalog: |
BB009650 |
Product Name: |
Ethyl 2,3-butadienoate |
CAS: |
14369-81-4 |
Synonyms: |
2,3-Butadienoic acid, ethyl ester; Butadienoic acid, ethyl ester; (Ethoxycarbonyl)allene; Ethyl allenecarboxylate; Ethyl butadienoate |
Description: | Ethyl 2,3-butadienoate (CAS# 14369-81-4) is a useful reactant for the synthesis of 9H-pyrrolo[1,2-a]indole derivatives via a phosphine-promoted Michael addn./intramol. Wittig reaction. |
Molecular Weight: | 112.13 |
Molecular Formula: | C6H8O2 |
Canonical SMILES: | CCOC(=O)C=C=C |
InChI: | InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h5H,1,4H2,2H3 |
InChI Key: | GLSUOACRAMLJIW-UHFFFAOYSA-N |
Boiling Point: | 44°C at 130 Torr |
Purity: | ≥95% |
Density: | 0.898±0.06 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Store at RT |
MDL: | MFCD01863567 |
LogP: | 0.89060 |
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 |
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PMID | Publication Date | Title | Journal |
22903632 | 20121014 | DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate | Organic & biomolecular chemistry |
22815218 | 20120727 | Multicomponent reaction to construct spirocyclic oxindoles with a Michael (triple Michael)/cyclization cascade sequence as the key step | Chemistry (Weinheim an der Bergstrasse, Germany) |
21970616 | 20111104 | Development of a formal catalytic asymmetric [4+2] addition of ethyl-2,3-butadienoate with acyclic enones | Organic letters |
21812448 | 20110831 | Phosphine-catalyzed annulations of azomethine imines: allene-dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] pathways | Journal of the American Chemical Society |
21302966 | 20110304 | Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate | Organic letters |
Complexity: | 121 |
Compound Is Canonicalized: | No |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.052429494 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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