1,2-Bis(diphenylphosphino)ethane - ≥98% , CAS No.1663-45-2

CAS: 1663-45-2 Cat. No.: B101114 Molecular Weight: 398.42 Beilstein Registry Number: 761261 EC Number: 216-769-2

GRADE & PURITY ≥98%

Synonyms

A810721 | NSC76285 | NSC-76285 | Phosphine,2-ethanediylbis[diphenyl- | B1137 | Phosphine, 1,1'-(1,2-ethanediyl)bis[1,1-diphenyl- | 1,2-bis (diphenyl)phosphinoethane | Bis(diphenylphosphine)ethane | Allyl alpha-toluate | Ataractan | GC10104 | EN300-54087 |

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Overview

Application

Ligand for metal-catalyzed allylic alkylation; decarboxylation of allylic esters; 1,3-diene synthesis; cycloaddition reactions; carbonylation reactions.

Specifications

Synonyms

A810721 | NSC76285 | NSC-76285 | Phosphine, 2-ethanediylbis[diphenyl- | B1137 | Phosphine, 1, 1'-(1, 2-ethanediyl)bis[1, 1-diphenyl- | 1, 2-bis (diphenyl)phosphinoethane | Bis(diphenylphosphine)ethane | Allyl alpha-toluate | Ataractan | GC10104 | EN300-54087 |

Specifications & Purity

≥98%

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184898
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184898
• Canonical Smiles: C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: 2-diphenylphosphanylethyl(diphenyl)phosphane
• InChIKey: QFMZQPDHXULLKC-UHFFFAOYSA-N
• INCHI: 1S/C26H24P2/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/h1-20H,21-22H2
• Isomeric SMILES: C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• WGK Germany: 3
• Molecular Weight: 398.42
• Beilstein: 761261
• Reaxy-Rn: 761261
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=761261&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: diphosphanes - tertiary phosphine

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(Human)

NCI-H460 (60772 Activities)

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Associated Targets(non-human)

Mus musculus (284745 Activities)

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B16 (5829 Activities)

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L1210 (27553 Activities)

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P388 (20296 Activities)

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ADJ/PC6 (26 Activities)

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Lewis lung carcinoma cell line (1243 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in acetone, methanol and alcoholic hydrochloric acid.
• Sensitivity: Air Sensitive
• Melt Point(°C): 138-142°C
• Molecular Weight: 398.400 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 398.135 Da
• Monoisotopic Mass: 398.135 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. Haipeng Zeng, Lin Li, Fengxiang Liu, Min Li, Shujing Zhang, Xin Zheng, Long Luo, Shuai You, Yang Zhao, Rui Guo, Zhongmiao Gong, Rong Huang, Zhe Li, Ti Wang, Yi Cui, Yaoguang Rong, Xiong Li.  (2021)  Improved Performance and Stability of Perovskite Solar Modules by Regulating Interfacial Ion Diffusion with Nonionic Cross-Linked 1D Lead-Iodide.  Advanced Energy Materials,  12  (1): (2102820).  [PMID:] [10.1002/aenm.202102820]

2. Chunli Wang, Na Yang, Dongxue Cai, Shu-Zhong Zhan, Kun Liu.  (2025)  Synthesis, characterization and investigation electrocatalytic property of nickel(II) complex based on 1,2-bis(diphenylphosphino)ethane for hydrogen generation and hydrogen oxidation.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.141702]