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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 2-Methylacetoacetate - ≥95%(GC) , CAS No.609-14-3
Synonyms
2-methyl-3-oxobutanoic acid ethyl ester | 2-methyl-3-oxo-butanoic acid ethyl ester | cid_701 | NCGC00090968-02 | Ethyl 2-methylacetoacetate | ethyl 2-methyl-acetoacetate | Ethyl 2-methylaceto-acetate | Ethyl 2-methyl-3-oxobutanoate | BDBM74254 | E-8300 |
Storage
Argon charged,Room temperature
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Why this grade ≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general • Ethyl 2-methylacetoacetate is used as a substrate in the rhenium-catalyzed synthesis of multisubstituted aromatic compounds.
• It can be employed in the synthesis of coumarin derivatives via Pechmann condensation.
• It undergoes dehydration to yield conjugated alkynyl and allenyl esters.
• It is also used in the total synthesis of chlorotonil A,yangjinhualine A, (+)- and (−)-saudin.
Specifications Sinónimos
2-methyl-3-oxobutanoic acid ethyl ester | 2-methyl-3-oxo-butanoic acid ethyl ester | cid_701 | NCGC00090968-02 | Ethyl 2-methylacetoacetate | ethyl 2-methyl-acetoacetate | Ethyl 2-methylaceto-acetate | Ethyl 2-methyl-3-oxobutanoate | BDBM74254 | E-8300 |
Especificaciones y pureza
≥95%(GC)
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Nombres e identificadores Pubchem Sid 488179540 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488179540 Sonrisas canónicas CCOC(=O)C(C)C(=O)C IUPAC Name ethyl 2-methyl-3-oxobutanoate InChIKey FNENWZWNOPCZGK-UHFFFAOYSA-N INCHI 1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3 Isómeros SMILES CCOC(=O)C(C)C(=O)C WGK Alemania 3 Peso molecular 144.17 Beilstein 1071740 Reaxy-Rn 1071742 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071742&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Clase Keto acids and derivatives Subclass Beta-keto acids and derivatives Intermediate Tree Nodes Not available Direct Parent Beta-keto acids and derivatives Alternative Parents Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. External Descriptors a small molecule Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Insoluble in water Sensibilidad Air sensitive Índice de refracción 1.418 Punto de inflamación (°F) 145.4 °F Punto de inflamación (°C) 62°C(lit.) Punto de ebullición (°C) 185°C(lit.) Peso molecular 144.170 g/mol XLogP3 0.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 144.079 Da Monoisotopic Mass 144.079 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 140.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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