2-(Dicyclohexylphosphino)biphenyl - ≥98% , CAS No.247940-06-3

CAS: 247940-06-3 Cat. No.: D101394 Molecular Weight: 350.48 Beilstein Registry Number: 8440533 EC Number: 607-439-2

GRADE & PURITY ≥98%

Synonyms

BP-11312 | (2-Biphenyl)dicyclohexylphosphine | (2-Biphenyl)dicyclohexyl-phosphine | biphenylyl dicyclohexylphosphine | Cyclohexyl JohnPhos | 2-(dicyclohexylphosphino)-1,1'-biphenyl | biphenyl-2-yl(dicyclohexyl) phosphane | 2(dicyclohexylphosphino)biphenyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2-(Dicyclohexylphosphino)biphenyl is an air-stable, bulky and electron-rich monodentate biarylphosphine ligand developed by the Buchwald group to enhance the reactivity of palladium catalysis during cross-coupling reactions.

Specifications

Synonyms

BP-11312 | (2-Biphenyl)dicyclohexylphosphine | (2-Biphenyl)dicyclohexyl-phosphine | biphenylyl dicyclohexylphosphine | Cyclohexyl JohnPhos | 2-(dicyclohexylphosphino)-1, 1'-biphenyl | biphenyl-2-yl(dicyclohexyl) phosphane | 2(dicyclohexylphosphino)biphenyl

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192507
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192507
• Canonical Smiles: C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4
• IUPAC Name: dicyclohexyl-(2-phenylphenyl)phosphane
• InChIKey: LCSNDSFWVKMJCT-UHFFFAOYSA-N
• INCHI: 1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
• Isomeric SMILES: C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4
• WGK Germany: 3
• Molecular Weight: 350.48
• Beilstein: 8440533
• Reaxy-Rn: 8440533
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8440533&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Sensitivity: Air&Moisture sensitive.
• Melt Point(°C): 102-106°C
• Molecular Weight: 350.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 350.216 Da
• Monoisotopic Mass: 350.216 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 356.000
• 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