1-[2-(Trimethylsilyl)ethoxycarbonyloxy]pyrrolidin-2,5-dione - ≥98% , CAS No.78269-85-9

CAS: 78269-85-9 Cat. No.: W196196 Molecular Weight: 259.33 EC Number: 628-606-6 PubChem CID: 5018386

GRADE & PURITY ≥98%

Synonyms

2,5-dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonate | 2,5-Dioxopyrrolidin-1-yl (2-(trimethylsilyl)ethyl) carbonate | 2,5-Dioxopyrrolidin-1-yl (2-(trimethylsilyl)-ethyl) carbonate | (2,5-dioxopyrrolidin-1-yl) 2-trimethylsilylethyl Carbonate | 1-({[2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 5-dioxopyrrolidin-1-yl 2-(trimethylsilyl)ethyl carbonate | 2, 5-Dioxopyrrolidin-1-yl (2-(trimethylsilyl)ethyl) carbonate | 2, 5-Dioxopyrrolidin-1-yl (2-(trimethylsilyl)-ethyl) carbonate | (2, 5-dioxopyrrolidin-1-yl) 2-trimethylsilylethyl Carbonate | 1-({[2

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)CCOC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-trimethylsilylethyl carbonate
• InChIKey: FLDNDAMSCINJDX-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO5Si/c1-17(2,3)7-6-15-10(14)16-11-8(12)4-5-9(11)13/h4-7H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)CCOC(=O)ON1C(=O)CCC1=O
• WGK Germany: 3
• PubChem CID: 5018386
• Molecular Weight: 259.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Organic carbonic acids and derivatives Lactams Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkylsilanes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Lactam - Carbonic acid derivative - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Organosilicon compound - Alkylsilane - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Heat & Moisture Sensitive
• Melt Point(°C): 100 °C
• Molecular Weight: 259.329 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 259.088 Da
• Monoisotopic Mass: 259.088 Da
• Topological Polar Surface Area: 72.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 320.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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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