1,2-Bis(dicyclohexylphosphino)ethane - ≥98% , CAS No.23743-26-2

CAS: 23743-26-2 Cat. No.: B115614 Molecular Weight: 422.61 EC Number: 684-243-3

GRADE & PURITY ≥98%

Synonyms

Dcype | Ethylenebis(dicyclohexylphosphine) | dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane | 1,2-Ethanediylbis[dicyclohexyl]phosphine

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Dcype | Ethylenebis(dicyclohexylphosphine) | dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane | 1, 2-Ethanediylbis[dicyclohexyl]phosphine

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190174
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190174
• Canonical Smiles: C1CCC(CC1)P(CCP(C2CCCCC2)C3CCCCC3)C4CCCCC4
• IUPAC Name: dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane
• InChIKey: BOUYBUIVMHNXQB-UHFFFAOYSA-N
• INCHI: 1S/C26H48P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2
• Isomeric SMILES: C1CCC(CC1)P(CCP(C2CCCCC2)C3CCCCC3)C4CCCCC4
• WGK Germany: 3
• Molecular Weight: 422.61
• Reaxy-Rn: 960285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=960285&ln=

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

B16 (5829 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive； Air sensitive
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Melt Point(°C): 92.5-96.5°C
• Molecular Weight: 422.600 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 422.323 Da
• Monoisotopic Mass: 422.323 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 336.000
• 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

1. Wen-Jing Pan, Zhong-Xia Wang.  (2018)  Palladium-Catalyzed C−H Benzylation of (Benzo)oxazoles with Benzylic Quaternary Ammonium Triflates.  Asian Journal of Organic Chemistry,  7  (8): (1626-1634).  [PMID:] [10.1002/ajoc.201800264]