Diethyl Methylmalonate - ≥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. various

CAS: 609-08-5 Cat. No.: D155569 Summenformel: C₈H₁₄O₄ Molekulargewicht: 174.2 Beilstein Registry Number: 637028 EG-Nummer: 210-175-7

GRADE & PURITY ≥98%(GC)

Synonyms

Methylmalonic acid diethyl ester | Propanedioic acid, methyl-, diethyl ester | DIETHYL METHYLMALONATE | diethyl 2-methylpropanedioate | diethyl methylpropanedioate | 1,3-diethyl 2-methylpropanedioate | Diethyl 2-methylmalonate | Malonic acid, methyl-, die

Storage

Room temperature

Shipped In

Normal

Übersicht

Diethyl methylmalonate reacts with 2-cyclohexenone under abnormal Michael conditions form 2-(3-oxocyclohexyl)-2-cyclohexenone. It causes the alkylation of poly(chloromethylstyrene) during pahse transfer catalysis.

Specifications

Synonyme

Methylmalonic acid diethyl ester | Propanedioic acid, methyl-, diethyl ester | DIETHYL METHYLMALONATE | diethyl 2-methylpropanedioate | diethyl methylpropanedioate | 1,3-diethyl 2-methylpropanedioate | Diethyl 2-methylmalonate | Malonic acid, methyl-, die

Spezifikationen & Reinheit

≥98%(GC)

Anmeldung

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.

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488181452
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181452
• Kanonisches Lächeln: 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
• Isomere SMILES: CCOC(=O)C(C)C(=O)OCC
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.41
• Flammpunkt (°F): 179.6 °F
• Flammpunkt (°C): 82°C
• Siedepunkt (°C): 199°C
• Molekulargewicht: 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

Referenzen

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]