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Methyl 1-Methyl-2-oxopyrrolidine-4-carboxylate - ≥95% , CAS No.59857-86-2
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Store at 2-8°C
Shipped In
Wet ice
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | CN1CC(CC1=O)C(=O)OC |
|---|---|
| IUPAC Name | methyl 1-methyl-5-oxopyrrolidine-3-carboxylate |
| InChIKey | JFZRRXGXEHUJCI-UHFFFAOYSA-N |
| INCHI | 1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3 |
| Isómeros SMILES | CN1CC(CC1=O)C(=O)OC |
| Peso molecular | 157.17 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Pyrrolidines
- Subclass Pyrrolidones
- Clase Pyrrolidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxoprolines |
| Alternative Parents | Pyrrolidine carboxylic acids Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Methyl esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Oxoproline - N-alkylpyrrolidine - 2-pyrrolidone - Methyl ester - Tertiary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oxoprolines. These are compounds containing an oxoproline moiety, which consists of a pyrrolidine ring bearing a carboxylic acid group at the ring position 2, and a ketone group. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Punto de inflamación (°C) | 113.3°C |
|---|---|
| Punto de ebullición (°C) | 263.7°C at 760 mmHg |
| Punto de fusión (°C) | 15 °C |
| Peso molecular | 157.170 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 157.074 Da |
| Monoisotopic Mass | 157.074 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 190.000 |
| 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 |
Calculadoras de soluciones
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