Tricyclohexylphosphine solution(PCy3) - 20 wt. % in toluene , CAS No.2622-14-2

CAS: 2622-14-2 Cat. No.: T432502 Molecular Weight: 280.43 Beilstein Registry Number: 957171 EC Number: 220-069-2 PubChem CID: 75806

GRADE & PURITY 20 wt. % in toluene

Synonyms

34HJS55VCG | C18H33P | (Cy)3P | Cy3P | tri(cyclohexyl)phosphine | tri-(cyclohexyl)phosphine | Tri(cyclohexyl)-phosphine | 2,3(or 3,4)-Dichlorobenzenemethanol methylcarbamate | Phosphine, tricyclohexyl- | Besuntol | EINECS 220-069-2 | P(Cy)3 | PHOSPHATE SA

Storage

Room temperature

Overview

Application

Catalyst for: Carbonylative Suzuki-coupling of benzyl halides with potassium aryltrifluoroborates Suzuki-Miyaura reactions of aryl sulfonates / halides with arylboronic acids Synthesis of an acromelic acid A analog based 11C-labeled PET tracer Synthesis of (-)-Exiguolide and its analogues Allylation of zinc enolates Reagent used as a ligand for a range of metal-catalyzed organic transformations.

Specifications

Synonyms

34HJS55VCG | C18H33P | (Cy)3P | Cy3P | tri(cyclohexyl)phosphine | tri-(cyclohexyl)phosphine | Tri(cyclohexyl)-phosphine | 2, 3(or 3, 4)-Dichlorobenzenemethanol methylcarbamate | Phosphine, tricyclohexyl- | Besuntol | EINECS 220-069-2 | P(Cy)3 | PHOSPHATE SA

Specifications & Purity

20 wt. % in toluene

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• IUPAC Name: tricyclohexylphosphane
• InChIKey: WLPUWLXVBWGYMZ-UHFFFAOYSA-N
• INCHI: 1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2
• Isomeric SMILES: C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
• WGK Germany: 3
• PubChem CID: 75806
• Molecular Weight: 280.43
• Beilstein: 957171

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organic phosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organic phosphines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphines and derivatives
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Phosphine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphines and derivatives. These are organic compounds containing a phosphine derivative, with the general formula B1P(R2)R3 (R1-R3=alkyl, aryl).
• 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

• Flash Point(°F): 48 °F
• Flash Point(°C): -20°C
• Boil Point(°C): 110°C
• Melt Point(°C): 77-83°C
• Molecular Weight: 280.400 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 280.232 Da
• Monoisotopic Mass: 280.232 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 202.000
• 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

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