4,4'-Dimethoxy-2,2'-bipyridyl - ≥98% , CAS No.17217-57-1

CAS: 17217-57-1 Cat. No.: D154601 Molecular Weight: 216.24 Beilstein Registry Number: 23(5)13,291 EC Number: 628-568-0

GRADE & PURITY ≥98%

Synonyms

F11107 | YSWG817 | 4,4'-Dimethoxy-[2,2']bipyridinyl | IMEVSAIFJKKDAP-UHFFFAOYSA-N | DS-15216 | Z2044782163 | 4,4'-Dimethoxy-2,2'-bipyridyl | A811383 | D3886 | MFCD00233880 | 4-methoxy-2-(4-methoxy-2-pyridyl)pyridine | AC-20760 | 4,4'-dimethoxy-2,2'- bipyr

Storage

Room temperature

Shipped In

Normal

Overview

4-4′-Dimethoxy-2-2'-bipyridine may be used as a ligand in the preparation of transition metal complexes

Specifications

Synonyms

F11107 | YSWG817 | 4, 4'-Dimethoxy-[2, 2']bipyridinyl | IMEVSAIFJKKDAP-UHFFFAOYSA-N | DS-15216 | Z2044782163 | 4, 4'-Dimethoxy-2, 2'-bipyridyl | A811383 | D3886 | MFCD00233880 | 4-methoxy-2-(4-methoxy-2-pyridyl)pyridine | AC-20760 | 4, 4'-dimethoxy-2, 2'- bipyr

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192449
• Canonical Smiles: COC1=CC(=NC=C1)C2=NC=CC(=C2)OC
• IUPAC Name: 4-methoxy-2-(4-methoxypyridin-2-yl)pyridine
• InChIKey: IMEVSAIFJKKDAP-UHFFFAOYSA-N
• INCHI: 1S/C12H12N2O2/c1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h3-8H,1-2H3
• Isomeric SMILES: COC1=CC(=NC=C1)C2=NC=CC(=C2)OC
• WGK Germany: 3
• Molecular Weight: 216.24
• Beilstein: 23(5)13,291
• Reaxy-Rn: 165473
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=165473&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: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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

Associated Targets(Human)

CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)

Discover Target: CCR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)

Discover Target: CCR5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 172 °C
• Molecular Weight: 216.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 44.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 191.000
• 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. Aodi Zhang, Yusai Zhou, Feng Xue, Xudong Peng, Hongyu Chen, Hong Wang.  (2022)  Exploring the generality of ligands for Silica-Encapsulated nanoclusters as SERS labels.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36577354] [10.1016/j.jcis.2022.12.099]

2. Renquan Guan, Xueying Cheng, Weilong Che, Yunning Chen, Zhengkai Wu, Qingkun Shang.  (2024)  Synergistic Regulation of Hydrophobicity and Carrier Transport Based on Bipyridine Derivatives to Enhance the Photocatalytic Performance of Defective TiO2 for Ammonia Synthesis.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c07968]

3. 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]