1,3-Bis((dicyclopentylphosphino)methyl)benzene

Base Information

• Chemical Name: 1,3-Bis((dicyclopentylphosphino)methyl)benzene
• CAS No.: 255874-48-7
• Molecular Formula: C₂₈H₄₄P₂
• Molecular Weight: 442.605
• DSSTox Substance ID: DTXSID00471998
• Nikkaji Number: J1.215.402J
• Wikidata: Q82300726
• Mol file: 255874-48-7.mol

Synonyms:255874-48-7;1,3-Bis((dicyclopentylphosphino)methyl)benzene;1,3-BIS(DICYCLOPENTYLPHOSPHINOMETHYL)BENZENE;[1,3-Phenylenebis(methylene)]bis(dicyclopentylphosphine);Dicyclopentyl-[[3-(dicyclopentylphosphanylmethyl)phenyl]methyl]phosphane;MFCD07781996;SCHEMBL2347522;DTXSID00471998;AKOS016010033;CS-W013845;BP-12307;J-016060;[1,3-Phenylenebis(methylene)]bis(dicyclopentylphosphane);[1,3-Phenylenebis(methylene)]bis(dicyclopentylphosphine), 95%

Chemical Property of 1,3-Bis((dicyclopentylphosphino)methyl)benzene

Chemical Property:

• Melting Point: 30-34 °C
• Boiling Point: 566.8±40.0 °C(Predicted)
• PSA: 27.18000
• LogP: 9.42080
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: air sensitive
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 442.29182540
• Heavy Atom Count: 30
• Complexity: 419

Purity/Quality:

97% ^*data from raw suppliers

1,3-Bis(dicyclopentylphosphinomethyl)benzene, 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(C1)P(CC2=CC(=CC=C2)CP(C3CCCC3)C4CCCC4)C5CCCC5
• Uses: Catalyst for intermediate of Heck reactions

Technology Process of 1,3-Bis((dicyclopentylphosphino)methyl)benzene

There total 3 articles about 1,3-Bis((dicyclopentylphosphino)methyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,3-bis[(dicyclopentylphosphanyl)methyl]benzene bisborane → 1,3-bis-[(dicyclopentylphosphanyl)-methyl]-benzene (255874-48-7)

Guidance literature:

With morpholine; at 120 ℃; for 2h;

DOI:10.1016/S0040-4039(99)01938-3

Reference yield:

dicyclopentylphosphine*borane → 1,3-bis-[(dicyclopentylphosphanyl)-methyl]-benzene (255874-48-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / n-BuLi / tetrahydrofuran / -78 °C

2: morpholine / 2 h / 120 °C

With morpholine; n-butyllithium; In tetrahydrofuran; 1: Metallation / 1: Alkylation / 2: Decomposition;

DOI:10.1016/S0040-4039(99)01938-3

Reference yield:

1,3-bis-(bromomethyl)benzene (626-15-3) → 1,3-bis-[(dicyclopentylphosphanyl)-methyl]-benzene (255874-48-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / n-BuLi / tetrahydrofuran / -78 °C

2: morpholine / 2 h / 120 °C

With morpholine; n-butyllithium; In tetrahydrofuran; 1: Metallation / 1: Alkylation / 2: Decomposition;

DOI:10.1016/S0040-4039(99)01938-3

upstream raw materials:

1,3-bis-(bromomethyl)benzene

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