Méthylmalonate de diéthyle - ≥98%(GC), used for Diethyl methylmalonate was used to investigate the effect of direct supplementation of the medium with di-ester of methylmalonate on erythromycin fermentation in Saccharopolyspora erythraea mutB strain. vari

CAS: 609-08-5 Cat. No.: D155569 Formule: C₈H₁₄O₄ Poids moléculaire: 174.2 Beilstein Registry Number: 637028 Numéro CE: 210-175-7

GRADE & PURITY ≥98%(GC)

Synonyms

Acide méthylmalonique, ester diéthylique | Acide propanedioïque, méthyl-, ester diéthylique | METHYLMALONATE DE DIETHYL | 2-méthylpropanedioate de diéthyle | Méthylpropanedioate de diéthyle | 1,3-diéthyl 2-méthylpropanedioate | 2-méthylmalonate de diéthyl

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Le méthylmalonate de diéthyle réagit avec la 2-cyclohexénone dans des conditions de Michael anormales pour former la 2-(3-oxocyclohexyl)-2-cyclohexénone. Il provoque l'alkylation du poly(chlorométhylstyrène) au cours de la catalyse de transfert de phase

Specifications

Synonymes

Acide méthylmalonique, ester diéthylique | Acide propanedioïque, méthyl-, ester diéthylique | METHYLMALONATE DE DIETHYL | 2-méthylpropanedioate de diéthyle | Méthylpropanedioate de diéthyle | 1,3-diéthyl 2-méthylpropanedioate | 2-méthylmalonate de diéthyl

Spécifications et pureté

≥98%(GC)

Application

Diethyl methylmalonate was used to investigate the effect of direct supplementation of the medium with di-ester of methylmalonate on erythromycin fermentation in Saccharopolyspora erythraea mutB strain.

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488181452
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181452
• Sourires canoniques: CCOC(=O)C(C)C(=O)OCC
• IUPAC Name: diethyl 2-methylpropanedioate
• InChIKey: UPQZOUHVTJNGFK-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
• Isomères SMILES: CCOC(=O)C(C)C(=O)OCC
• WGK Allemagne: 3
• Poids moléculaire: 174.2
• Beilstein: 637028
• Reaxy-Rn: 637028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637028&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: 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.41
• Point d'éclair (°F): 179.6 °F
• Point d'éclair (°C): 82°C
• Point d'ébullition (°C): 199°C
• Poids moléculaire: 174.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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

Références

1. Guo Junchen, Wang Shanjie, Wan Xin, Liu Xiaoxuan, Wang Zeng, Liang Chenchen, Zhang Zhenming, Wang Ye, Yan Miao, Wu Pengyan, Fang Shaohong, Yu Bo.  (2024)  Mitochondria-derived methylmalonic acid aggravates ischemia–reperfusion injury by activating reactive oxygen species-dependent ferroptosis.  Cell Communication and Signaling,  22  (1): (1-20).  [PMID:38238728] [10.1186/s12964-024-01479-z]