(3R)-2,2'-Diphenyl-[3,3'-biphenanthrene]-4,4'-diol - ≥98%,≥99%(ee) , CAS No.147702-16-7

CAS: 147702-16-7 Cat. No.: R281739 Peso molecular: 538.63 Número EC: 802-806-5 PubChem CID: 10918556

GRADE & PURITY ≥98%,≥99%(ee)

Synonyms

J-008398 | Vapol | (R)-VAPOL, 97% | SCHEMBL8008142 | SY073056 | (S)-VAPOL, 97% | [3,3'-Biphenanthrene]-4,4'-diol, 2,2'-diphenyl-, (3S)- | 2,2'-diphenyl-[3,3'-biphenanthrene]-4,4'-diol | [3,3'-Biphenanthrene]-4,4'-diol, 2,2'-diphenyl-, (3R)- | (S)-2,2'-Dip

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

VAPOL has proven to be an excellent ligand in catalytic asymmetric Diels-Alder, imine aldol, and aziridination reactions.

Specifications

Sinónimos

J-008398 | Vapol | (R)-VAPOL, 97% | SCHEMBL8008142 | SY073056 | (S)-VAPOL, 97% | [3, 3'-Biphenanthrene]-4, 4'-diol, 2, 2'-diphenyl-, (3S)- | 2, 2'-diphenyl-[3, 3'-biphenanthrene]-4, 4'-diol | [3, 3'-Biphenanthrene]-4, 4'-diol, 2, 2'-diphenyl-, (3R)- | (S)-2, 2'-Dip

Especificaciones y pureza

≥98%, ≥99%(ee)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥98%, ≥99%(ee)

Nombres e identificadores

• Pubchem Sid: 488196924
• Sonrisas canónicas: C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)O)C5=C(C=C6C=CC7=CC=CC=C7C6=C5O)C8=CC=CC=C8
• IUPAC Name: 3-(4-hydroxy-2-phenylphenanthren-3-yl)-2-phenylphenanthren-4-ol
• InChIKey: UFYXKDMLGBKHIC-UHFFFAOYSA-N
• INCHI: 1S/C40H26O2/c41-39-35-29(21-19-27-15-7-9-17-31(27)35)23-33(25-11-3-1-4-12-25)37(39)38-34(26-13-5-2-6-14-26)24-30-22-20-28-16-8-10-18-32(28)36(30)40(38)42/h1-24,41-42H
• Isómeros SMILES: C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)O)C5=C(C=C6C=CC7=CC=CC=C7C6=C5O)C8=CC=CC=C8
• WGK Alemania: 3
• PubChem CID: 10918556
• Peso molecular: 538.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Phenanthrols Naphthols and derivatives 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylnaphthalene - Phenanthrol - Phenanthrene - 1-naphthol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
• 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

• Peso molecular: 538.600 g/mol
• XLogP3: 11.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 538.193 Da
• Monoisotopic Mass: 538.193 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 816.000
• 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