1,3-Bis(diphenylphosphino)propane - ≥97% , CAS No.6737-42-4

CAS: 6737-42-4 Cat. No.: B111136 Molecular Weight: 412.44 Beilstein Registry Number: 2821785 EC Number: 229-791-2

GRADE & PURITY ≥97%

Synonyms

DPPP [MI] | Phosphine, 1,1'-(1,3-propanediyl)bis(1,1-diphenyl- | 1,3-bis(diphenylphospino)propane | 1,3-bis(diphenyl-phospino)propane | N-[3-Acetyl-4-(oxiranylmethoxy)phenyl]butyramide | n-benzyl tropinone | propane-1,3-diylbis(diphenylphosphane) | 1,3bis

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DPPP [MI] | Phosphine, 1, 1'-(1, 3-propanediyl)bis(1, 1-diphenyl- | 1, 3-bis(diphenylphospino)propane | 1, 3-bis(diphenyl-phospino)propane | N-[3-Acetyl-4-(oxiranylmethoxy)phenyl]butyramide | n-benzyl tropinone | propane-1, 3-diylbis(diphenylphosphane) | 1, 3bis

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185940
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185940
• Canonical Smiles: C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane
• InChIKey: LVEYOSJUKRVCCF-UHFFFAOYSA-N
• INCHI: 1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2
• Isomeric SMILES: C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• WGK Germany: 3
• Molecular Weight: 412.44
• Beilstein: 2821785
• Reaxy-Rn: 2821785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2821785&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: Insoluble in water.
• Sensitivity: air sensitive
• Melt Point(°C): 57-63°C
• Molecular Weight: 412.400 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 412.151 Da
• Monoisotopic Mass: 412.151 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 350.000
• 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]

2. Lamaocao Ma, Hengchang Ma.  (2019)  Synthesis of π-conjugated network polymers based on triphenylamine (TPA) and tetraphenylethylene (TPE) as building blocks via direct Pd-catalyzed reactions and their application in CO2 capture and explosive detection.  RSC Advances,  9  (32): (18098-18105).  [PMID:35515247] [10.1039/C9RA02469G]

3. Lei Lei, Hengchang Ma, Yanfang Qin, Manyi Yang, Yucheng Ma, Tao Wang, Yuan Yang, Ziqiang Lei, Dedai Lu, Xiaolin Guan.  (2017)  AIE-active florescent polymers: The design, synthesis and the cell imaging application.  POLYMER,      [PMID:] [10.1016/j.polymer.2017.11.030]

4. Zengming Yang, Hengchang Ma, Zijie Jin, Haiying Cao, Lei Lei, Yucheng Ma, Ziqiang Lei.  (2017)  BSA-coated fluorescent organic–inorganic hybrid silica nanoparticles: preparation and drug delivery.  NEW JOURNAL OF CHEMISTRY,  41  (4): (1637-1644).  [PMID:] [10.1039/C6NJ03915D]

5. Wangxiang Huang, Chen Wang, Qianzi Chen, Feng Chen, Haohan Hu, Jianfei Li, Jingling Kang, Qiyi He, Xiaodong Yu.  (2024)  Identification and molecular mechanisms of novel antioxidant peptides in black soldier fly larvae protein: simulated gastrointestinal digestion, molecular docking and in vitro/in vivo studies.  INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1111/ijfs.17276]

6. Ling Chen, Xiangyu Ma, Tingting Wang, Qingliang Li, Ruru Qian, Mengting Cui, Haizhu Yu, Manzhou Zhu.  (2026)  Atom-by-atom size-evolution of Ag13-Ag15 nanoclusters: structure and catalytic CO2 conversion.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2026.123361]