Dimethyl bromomalonate - ≥95% , CAS No.868-26-8

CAS: 868-26-8 Cat. No.: D477098 Fórmula: C₅H₇BrO₄ Peso molecular: 211.01 Beilstein Registry Number: 2(2)538 Número EC: 212-775-4

GRADE & PURITY ≥95%

Synonyms

NSC 175888 | Propanedioic acid, bromo-, dimethyl ester | J-800362 | BB 0258966 | D3887 | NSC175888 | NSC-175888 | dimethyl-2-bromomalonate | MFCD00025865 | 1,3-dimethyl 2-bromopropanedioate | Bromomalonic Acid Dimethyl Ester | J-640358 | SCHEMBL690839 | 2

Storage

Argon charged

Shipped In

Normal

Descripción general

Description：

Dimethyl bromomalonate undergoes manganese(III)-promoted free-radical chain addition reaction with olefins, to yield dimethyl 2-bromoalkylmalonates. Organocatalyzed Michael addition of dimethyl bromomalonate to nitrostyrenes to yield synthetically useful nitrocyclopropanes has been reported. Dimethyl bromomalonate reacts readily with arylnitroso compounds to yield the correspondingN-aryl-C,C-dimethoxycarbonylnitrones.Dimethyl bromomalonate may be used in the enantioselective synthesis of nitrocyclopropanes.

Application：

Dimethyl bromomalonate may be used in the enantioselective synthesis of nitrocyclopropanes.

Specifications

Sinónimos

NSC 175888 | Propanedioic acid, bromo-, dimethyl ester | J-800362 | BB 0258966 | D3887 | NSC175888 | NSC-175888 | dimethyl-2-bromomalonate | MFCD00025865 | 1,3-dimethyl 2-bromopropanedioate | Bromomalonic Acid Dimethyl Ester | J-640358 | SCHEMBL690839 | 2

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488184466
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184466
• Sonrisas canónicas: COC(=O)C(C(=O)OC)Br
• IUPAC Name: dimethyl 2-bromopropanedioate
• InChIKey: NEMOJKROKMMQBQ-UHFFFAOYSA-N
• INCHI: 1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
• Isómeros SMILES: COC(=O)C(C(=O)OC)Br
• Peso molecular: 211.01
• Beilstein: 2(2)538
• Reaxy-Rn: 971135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971135&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Methyl esters Alpha-halocarboxylic acid derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl bromide - Organic oxide - Alkyl halide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.46
• Punto de ebullición (°C): 225°C(lit.)
• Peso molecular: 211.010 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.953 Da
• Monoisotopic Mass: 209.953 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 868-26-8, the molecular formula is C5H7BrO4, and the molecular weight is 211.01 g/mol. InChIKey NEMOJKROKMMQBQ-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.