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

CAS: 72914-19-3 Cat. No.: D119895 Peso molecular: 268.4 Beilstein Registry Number: 25(5)8,181 Número EC: 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

Sinónimos

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 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194787
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194787
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): 159-161°C
• Peso molecular: 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

Referencias

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]