1,5-Bis(diphenylphosphino)pentane - ≥97% , CAS No.27721-02-4

CAS: 27721-02-4 Cat. No.: B101644 Molecular Weight: 440.5 Beilstein Registry Number: 2953640 EC Number: 626-285-7

GRADE & PURITY ≥97%

Synonyms

J-504014 | Phosphine, 1,5-pentanediylbis[diphenyl- | 1,5-pentanediylbis[diphenylphosphine] | AMY42214 | AC-4970 | AKOS007930071 | 5-diphenylphosphanylpentyl(diphenyl)phosphane | B1960 | BCP22571 | SCHEMBL240779 | AS-14908 | DTXSID80369900 | SY038267 | 1,5

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

J-504014 | Phosphine, 1, 5-pentanediylbis[diphenyl- | 1, 5-pentanediylbis[diphenylphosphine] | AMY42214 | AC-4970 | AKOS007930071 | 5-diphenylphosphanylpentyl(diphenyl)phosphane | B1960 | BCP22571 | SCHEMBL240779 | AS-14908 | DTXSID80369900 | SY038267 | 1, 5

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488192401
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192401
• Canonical Smiles: C1=CC=C(C=C1)P(CCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: 5-diphenylphosphanylpentyl(diphenyl)phosphane
• InChIKey: MZFPAWGWFDGCHP-UHFFFAOYSA-N
• INCHI: 1S/C29H30P2/c1-6-16-26(17-7-1)30(27-18-8-2-9-19-27)24-14-5-15-25-31(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2
• Isomeric SMILES: C1=CC=C(C=C1)P(CCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• WGK Germany: 3
• Molecular Weight: 440.5
• Beilstein: 2953640
• Reaxy-Rn: 2953640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2953640&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: 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)

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

B16 (5829 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in N,N-dimethyl formamide.
• Sensitivity: Air Sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 110oC
• Melt Point(°C): 42-47°C
• Molecular Weight: 440.500 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 440.182 Da
• Monoisotopic Mass: 440.182 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 375.000
• 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. Linfeng Zhang, Changpo Ma, Chenyu Wang, Guangyu Sun, Yongqi Shu, Wenya Zou, Tao Yang, Weiran Yang.  (2022)  Direct conversion of glyceric acid to succinic acid by reductive carbonylation.  GREEN CHEMISTRY,  24  (19): (7644-7651).  [PMID:] [10.1039/D2GC02594A]