Dimethyl 2,2'-Bipyridine-4,4'-dicarboxylate - ≥98% , CAS No.71071-46-0

CAS: 71071-46-0 Cat. No.: D154591 Molecular Weight: 272.26 EC Number: 804-234-1

GRADE & PURITY ≥98%

Synonyms

A837067 | STL511922 | [2,2'-Bipyridine]-4,4'-dicarboxylic acid, dimethyl ester | Dimethyl 2,2'-bipyridine-4,4'-dicarboxylate, >=98.0% (HPLC) | N-(9-ACRIDINYL)-N-[4-(4-METHYLPIPERAZINO)PHENYL]AMINE | 4,4'-BIS(METHOXYCARBONYL)-2,2'-BIPYRIDINE | 4,4'-Dimetho

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A837067 | STL511922 | [2, 2'-Bipyridine]-4, 4'-dicarboxylic acid, dimethyl ester | Dimethyl 2, 2'-bipyridine-4, 4'-dicarboxylate, >=98.0% (HPLC) | N-(9-ACRIDINYL)-N-[4-(4-METHYLPIPERAZINO)PHENYL]AMINE | 4, 4'-BIS(METHOXYCARBONYL)-2, 2'-BIPYRIDINE | 4, 4'-Dimetho

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189509
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189509
• Canonical Smiles: COC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)OC
• IUPAC Name: methyl 2-(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
• InChIKey: HBWBVIDKBKOVEX-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O4/c1-19-13(17)9-3-5-15-11(7-9)12-8-10(4-6-16-12)14(18)20-2/h3-8H,1-2H3
• Isomeric SMILES: COC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)OC
• WGK Germany: 3
• Molecular Weight: 272.26
• Reaxy-Rn: 252463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=252463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Pyridinecarboxylic acids 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: Bipyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 208-212℃
• Molecular Weight: 272.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 272.08 Da
• Monoisotopic Mass: 272.08 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 327.000
• 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

References

1. Hongrui Lan, Qiuyu Wu, Jingyu Huang, Jianbo Ding, Xianghong Li, Chunya Li.  (2025)  New photo-activated NO donors based on cyclometalated ruthenium nitrosyls.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144838]