Dimethyl ethylidenemalonate - ≥96% , CAS No.17041-60-0

CAS: 17041-60-0 Cat. No.: D341726 Formula: C₇H₁₀O₄ Peso molecolare: 158.15

GRADE & PURITY ≥96%

Synonyms

F20463 | A25260 | AMY32195 | DTXSID10342362 | InChI=1/C7H10O4/c1-4-5(6(8)10-2)7(9)11-3/h4H,1-3H | Dimethyl ethyl idenemalonate | Dimethyl 2-ethylidenemalonate | 2-ETHYLIDENE-MALONIC ACID 1,3-DIMETHYL ESTER | AKOS015915771 | Dimethyl2-ethylidenemalonate |

Storage

Room temperature

Shipped In

Normal

Panoramica

Product Introduction

Palladium (0)-catalyzed deconjugative allylation of dimethyl ethylidenemalonate has been reported. 

Application

Dimethyl ethylidenemalonate has been employed:

• as electrophile in catalytic asymmetric Michael reactions of enamides and enecarbamates

• in preparation of N-bound α-cyanocarbanion complexes

Specifications

Sinonimi

F20463 | A25260 | AMY32195 | DTXSID10342362 | InChI=1/C7H10O4/c1-4-5(6(8)10-2)7(9)11-3/h4H,1-3H | Dimethyl ethyl idenemalonate | Dimethyl 2-ethylidenemalonate | 2-ETHYLIDENE-MALONIC ACID 1,3-DIMETHYL ESTER | AKOS015915771 | Dimethyl2-ethylidenemalonate |

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504759349

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759349

Sorrisi canonici

CC=C(C(=O)OC)C(=O)OC

IUPAC Name

dimethyl 2-ethylidenepropanedioate

InChIKey

FRCFZWCJSXQAMQ-UHFFFAOYSA-N

INCHI

1S/C7H10O4/c1-4-5(6(8)10-2)7(9)11-3/h4H,1-3H3

Isomeri SMILES

CC=C(C(=O)OC)C(=O)OC

Peso molecolare

158.15

Reaxy-Rn

1767127

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767127&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.447
• Peso molecolare: 158.150 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 158.058 Da
• Monoisotopic Mass: 158.058 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 175.000
• 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

Domande frequenti

How is this product shipped?

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

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 17041-60-0, the molecular formula is C7H10O4, and the molecular weight is 158.15 g/mol. InChIKey FRCFZWCJSXQAMQ-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.