Dimethyl 5-methylpyridine-2,3-dicarboxylate - ≥98% , CAS No.112110-16-4

CAS: 112110-16-4 Cat. No.: D302218 Summenformel: C₁₀H₁₁NO₄ Molekulargewicht: 209.2

GRADE & PURITY ≥98%

Synonyms

F21407 | 2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester | MKOJTLPEGLTEFM-UHFFFAOYSA-N | SCHEMBL2487068 | DTXSID10888856 | 5-methylpyridine-2,3-dicarboxylic acid diethyl ester | AKOS027393732 | dimethyl 5-methyl-2,3pyridinedicarboxylate | dim

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

F21407 | 2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester | MKOJTLPEGLTEFM-UHFFFAOYSA-N | SCHEMBL2487068 | DTXSID10888856 | 5-methylpyridine-2,3-dicarboxylic acid diethyl ester | AKOS027393732 | dimethyl 5-methyl-2,3pyridinedicarboxylate | dim

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504766697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766697
• Kanonisches Lächeln: CC1=CC(=C(N=C1)C(=O)OC)C(=O)OC
• IUPAC Name: dimethyl 5-methylpyridine-2,3-dicarboxylate
• InChIKey: MKOJTLPEGLTEFM-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3
• Isomere SMILES: CC1=CC(=C(N=C1)C(=O)OC)C(=O)OC
• Molekulargewicht: 209.2
• Reaxy-Rn: 6923277
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6923277&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Ebene5 Pyridinecarboxylic acids
          • Ebene6 Pyridine-2-carboxylic acids
            • Ebene7 5-alkyl-2-carboxypyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
• Direct Parent: 5-alkyl-2-carboxypyrimidines
• Alternative Parents: Methylpyridines Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-alkyl-2-carboxypyrimidine - Methylpyridine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
• 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

• Schmelzpunkt (°C): 45-50°C
• Molekulargewicht: 209.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.069 Da
• Monoisotopic Mass: 209.069 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 254.000
• 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

Häufig gestellte Fragen

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 112110-16-4, the molecular formula is C10H11NO4, and the molecular weight is 209.2 g/mol. InChIKey MKOJTLPEGLTEFM-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.