4-(Anthracen-9-yl)-3-(t-butyl-2,3-dihydrobenzo[d][1,3]oxaphosphole - ≥97% , CAS No.1268693-24-8

CAS: 1268693-24-8 Cat. No.: A282056 Peso molecular: 370.4

GRADE & PURITY ≥97%

Synonyms

rac-AntPhos

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

rac-AntPhos

Especificaciones y pureza

≥97%

Información jurídica

Sold in collaboration with Zejun for research purposes only. Patents ZL201310020371.1, CN 201610056390.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504771073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771073
• Sonrisas canónicas: CC(C)(C)P1COC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53
• IUPAC Name: 4-anthracen-9-yl-3-tert-butyl-2H-1,3-benzoxaphosphole
• InChIKey: HKAWVLHXUZNLPP-UHFFFAOYSA-N
• INCHI: 1S/C25H23OP/c1-25(2,3)27-16-26-22-14-8-13-21(24(22)27)23-19-11-6-4-9-17(19)15-18-10-5-7-12-20(18)23/h4-15H,16H2,1-3H3
• Isómeros SMILES: CC(C)(C)P1COC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53
• Peso molecular: 370.4
• Reaxy-Rn: 21379007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21379007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Clase Arylnaphthalene lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Clase: Arylnaphthalene lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylnaphthalene lignans
• Alternative Parents: Anthracenes Organic phosphines and derivatives Phosphacyclic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Arylnaphthalene lignan skeleton - Anthracene - Benzenoid - Phosphine - Phosphacycle - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
• 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Peso molecular: 370.400 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 370.149 Da
• Monoisotopic Mass: 370.149 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 503.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1