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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate - ≥97% , CAS No.99027-90-4
Synonyms
2-OXA-3-AZABICYCLO[2.2.1]HEPT-5-ENE-3-CARBOXYLIC ACID,1,1-DIMETHYLETHYL ESTER | tert-butyl2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate | 2-Oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid tert-butyl ester | SCHEMBL3456734 | MFCD24465569 | EN300-67
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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.
Specifications Sinónimos
2-OXA-3-AZABICYCLO[2.2.1]HEPT-5-ENE-3-CARBOXYLIC ACID, 1, 1-DIMETHYLETHYL ESTER | tert-butyl2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate | 2-Oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid tert-butyl ester | SCHEMBL3456734 | MFCD24465569 | EN300-67
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC(C)(C)OC(=O)N1C2CC(O1)C=C2 IUPAC Name tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate InChIKey JKCMHTNELDNMNY-UHFFFAOYSA-N INCHI 1S/C10H15NO3/c1-10(2,3)13-9(12)11-7-4-5-8(6-7)14-11/h4-5,7-8H,6H2,1-3H3 Isómeros SMILES CC(C)(C)OC(=O)N1C2CC(O1)C=C2 CAS alternativo 99027-90-4 PubChem CID 15332365 Peso molecular 197.23
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 Organoheterocyclic compounds Clase Azolidines Subclass Isoxazolidines Intermediate Tree Nodes Not available Direct Parent Isoxazolidines Alternative Parents Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Isoxazolidine - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as isoxazolidines. These are organic heterocyclic compounds containing an isoxazolidine moiety, with a structure characterized by a five-member saturated aliphatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively. External Descriptors Not available 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 Peso molecular 197.230 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 197.105 Da Monoisotopic Mass 197.105 Da Topological Polar Surface Area 38.800 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 280.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 2 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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