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

CAS: 17217-57-1 Cat. No.: D154601 Formula: C₁₂H₁₂N₂O₂ 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

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

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 is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 17217-57-1, the molecular formula is C12H12N2O2, and the molecular weight is 216.24 g/mol. InChIKey IMEVSAIFJKKDAP-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.