4,4′-Di-tert-butyl-2,2′-dipyridyl - ≥98% , CAS No.72914-19-3

CAS: 72914-19-3 Cat. No.: D119895 Molecular Weight: 268.4 Beilstein Registry Number: 25(5)8,181 EC Number: 629-463-2

GRADE & PURITY ≥98%

Synonyms

4,4'-Di-tert-butyl-2,2'-dipyridyl | BBBPY | SY012241 | 2,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)- | TXNLQUKVUJITMX-UHFFFAOYSA-N | 4,4'-Di-tert-butyl-[2,2']bipyridinyl | YSSJ1560 | 4,4'-Di-tert-butyl-2,2'-bipyridine | 4,4'-di-tertbutyl-2,2'-bipyridine |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 4'-Di-tert-butyl-2, 2'-dipyridyl | BBBPY | SY012241 | 2, 2'-Bipyridine, 4, 4'-bis(1, 1-dimethylethyl)- | TXNLQUKVUJITMX-UHFFFAOYSA-N | 4, 4'-Di-tert-butyl-[2, 2']bipyridinyl | YSSJ1560 | 4, 4'-Di-tert-butyl-2, 2'-bipyridine | 4, 4'-di-tertbutyl-2, 2'-bipyridine |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194787
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194787
• Canonical Smiles: CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C
• IUPAC Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine
• InChIKey: TXNLQUKVUJITMX-UHFFFAOYSA-N
• INCHI: 1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3
• Isomeric SMILES: CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C
• WGK Germany: 3
• Molecular Weight: 268.4
• Beilstein: 25(5)8,181
• Reaxy-Rn: 792133
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=792133&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: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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(non-human)

Histidine-rich protein (528 Activities)

Explore this target

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 159-161°C
• Molecular Weight: 268.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 268.194 Da
• Monoisotopic Mass: 268.194 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 278.000
• 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. Weiliang Guo, Hao Ding, Chaoyue Gu, Yanhuan Liu, Xuecheng Jiang, Bin Su, Yuanhua Shao.  (2018)  Potential-Resolved Multicolor Electrochemiluminescence for Multiplex Immunoassay in a Single Sample.  Journal of the American Chemical Society,      [PMID:30380848] [10.1021/jacs.8b09422]