Diethyl2-bromo-2-methylmalonate - ≥98% , CAS No.29263-94-3

CAS: 29263-94-3 Cat. No.: D135760 Fórmula: BrC(CH₃)(CO₂C₂H₅)₂ Peso molecular: 253.09 Número CE: 249-541-6

GRADE & PURITY ≥98%

Synonyms

diethyl 2-bromo-2-methyl-propanedioate;Diethyl 2-Bromo-2-methylmalonate | Diethyl bromomethylmalonate | 2-(bromomethyl)-propanedioic acid diethyl ester | NSC10117 | NSC-10117 | NSC 10117 | FT-0611396 | SCHEMBL653853 | 2-bromo-2-methylmalonic acid diethyl

Storage

Room temperature

Shipped In

Normal

Visão geral

Product description：

Diethyl 2-bromo-2-methylmalonate acts as initiator during the atom transfer radical polymerization of methyl methacrylate.

Application：

Diethyl 2-bromo-2-methylmalonate was used to investigate the 1,2,2,6,6-pentamethylpiperidine as an effective reducing agent for the radical chain conversion of primary bromoesters to the corresponding esters. It was used in the synthesis of polystyrene macroinitiator via atom transfer radical polymerization.

Specifications

Sinónimos

diethyl 2-bromo-2-methyl-propanedioate;Diethyl 2-Bromo-2-methylmalonate | Diethyl bromomethylmalonate | 2-(bromomethyl)-propanedioic acid diethyl ester | NSC10117 | NSC-10117 | NSC 10117 | FT-0611396 | SCHEMBL653853 | 2-bromo-2-methylmalonic acid diethyl

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488186867
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186867
• Sorrisos canónicos: CCOC(=O)C(C)(C(=O)OCC)Br
• IUPAC Name: diethyl 2-bromo-2-methylpropanedioate
• InChIKey: CSLQAXTUGPUBCW-UHFFFAOYSA-N
• INCHI: 1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3
• SMILES isoméricas: CCOC(=O)C(C)(C(=O)OCC)Br
• WGK Alemanha: 3
• Peso molecular: 253.09
• Reaxy-Rn: 1779673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1779673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.45
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 59 °C/0.2 mmHg
• Peso molecular: 253.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 252 Da
• Monoisotopic Mass: 252 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 29263-94-3, the molecular formula is C8H13BrO4, and the molecular weight is 253.09 g/mol. InChIKey CSLQAXTUGPUBCW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.