Trimethylenebis(triphenylphosphonium bromide)

Base Information

• Chemical Name: Trimethylenebis(triphenylphosphonium bromide)
• CAS No.: 7333-67-7
• Molecular Formula: C39H36 P2 . 2 Br
• Molecular Weight: 726.47
• European Community (EC) Number: 230-835-8
• ChEMBL ID: CHEMBL169739
• Mol file: 7333-67-7.mol

Synonyms:7333-67-7;TRIMETHYLENEBIS(TRIPHENYLPHOSPHONIUM BROMIDE);Trimethylenebis(triphenylphosphoniumbromide);triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;dibromide;C39H36P2.2Br;C39-H36-P2.2Br;CHEMBL169739;SCHEMBL2449969;1,3-propanediylbis (triphenylphosphonium) .2Br;F76939;propane-1,3-diylbis(triphenylphosphonium) bromide

Chemical Property of Trimethylenebis(triphenylphosphonium bromide)

Chemical Property:

• Melting Point: 333-335°C
• PSA: 27.18000
• LogP: 1.37270
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 726.06385
• Heavy Atom Count: 43
• Complexity: 572

Purity/Quality:

99% ^*data from raw suppliers

TRIPHENYL[3-(1,1,1-TRIPHENYLPHOSPHONIO)PROPYL]PHOSPHONIUM DIBROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[P+](CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-].[Br-]

Technology Process of Trimethylenebis(triphenylphosphonium bromide)

There total 3 articles about Trimethylenebis(triphenylphosphonium bromide) 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: 95.0%

triphenylphosphine (603-35-0) + 1,3-dibromo-propane (109-64-8) → 1,3-bis(triphenylphosphino)propane dibromide (7333-67-7)

Guidance literature:

In N,N-dimethyl-formamide; for 4h; Reflux;

DOI:10.1016/j.molstruc.2020.127700

Reference yield: 51.0%

3-bromopropyltriphenylphosphonium bromide (3607-17-8) + triphenylphosphine (603-35-0) → 1,3-bis(triphenylphosphino)propane dibromide (7333-67-7)

Guidance literature:

for 12.5h;

DOI:10.1039/b111515d

Reference yield: 51.0%

→ 1,3-bis(triphenylphosphino)propane dibromide (7333-67-7)

Guidance literature:

upstream raw materials:

triphenylphosphine

1,3-dibromo-propane

3-bromopropyltriphenylphosphonium bromide

Downstream raw materials:

1,3-bis(diphenylphosphoryl)propane

1,3-Dicyclohexylidenpropan

(E,E)-1,5-diphenyl-1,4-pentadiene

(Z,Z)-3H-cyclononabiphenylene

Refernces

• 1、 Gholizadeh, Mostafa,Nokhbeh, Seyed Reza,Salimi, Alireza,Sparkes, Hazel A.. "Synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations and characterization of 1,3-propanediylbis(triphenylphosphonium) monotribromide as brominating agent of double bonds and phenolic rings". . . Retrieved 2020.
• 2、 Warner, Christopher J.A.,Berry, Sian S.,Jones, Simon. "Evaluation of bifunctional chiral phosphine oxide catalysts for the asymmetric hydrosilylation of ketimines". . . Retrieved 2019/11/11.