1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide

Base Information

• Chemical Name: 1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide
• CAS No.: 1229444-44-3
• Molecular Formula: C24H27BrNP
• Molecular Weight: 440.363
• DSSTox Substance ID: DTXSID70693701
• Mol file: 1229444-44-3.mol

Synonyms:1229444-44-3;1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide;[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-diphenylphosphane;bromide;1-(4-(Diphenylphosphino)benzyl)-1-methylpyrrolidin-1-ium bromide;1-{[4-(Diphenylphosphanyl)phenyl]methyl}-1-methylpyrrolidin-1-ium bromide;DTXSID70693701;JKJSVXHLMBCNPA-UHFFFAOYSA-M;MFCD16295188;AKOS025294203;Pyrrolidinium, 1-[[4-(diphenylphosphino)phenyl]methyl]-1-methyl-, bromide (1:1);AS-73639;CS-0087126;M2103;T71652;A920293;1-(4-(Diphenylphosphino)benzyl)-1-methylpyrrolidin-1-iumbromide

Chemical Property of 1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide

Chemical Property:

• PSA: 13.59000
• LogP: 1.14800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 439.10645
• Heavy Atom Count: 27
• Complexity: 392

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1)CC2=CC=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• Uses: 1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide can be used as a catalyst in organic synthesis.

Technology Process of 1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide

There total 1 articles about 1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium 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: 97.0%

Br(1-)*C24H27NOP(1+) (1229444-42-1) → N-methyl-N-[4-(diphenylphosphino)benzyl]pyrrolidinium bromide (1229444-44-3)

Guidance literature:

Br^(1-)*C₂₄H₂₇NOP⁽¹⁺⁾; With dimethyl sulfate; In chloroform; at 0 - 50 ℃; for 12h;

With lithium aluminium tetrahydride; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 2h;

With hydrogen bromide; In water;

DOI:10.1016/j.tet.2010.03.039

Reference yield: 100.0%

N-methyl-N-[4-(diphenylphosphino)benzyl]pyrrolidinium bromide (1229444-44-3) + ethyl bromoacetate (105-36-2) → 2Br(1-)*C28H34NO2P(2+)

Guidance literature:

In dichloromethane; at 0 - 40 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2010.11.111

Reference yield: 100.0%

N-methyl-N-[4-(diphenylphosphino)benzyl]pyrrolidinium bromide (1229444-44-3) + 4-Methylbenzyl bromide (104-81-4) → 2Br(1-)*C32H36NP(2+)

Guidance literature:

In dichloromethane; at 0 - 40 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2010.11.111

upstream raw materials:

Br^(1-)*C₂₄H₂₇NOP⁽¹⁺⁾

Downstream raw materials:

1-iodo-3-phenylpropan

Br^(1-)*C₂₄H₂₇NOP⁽¹⁺⁾

1-Bromo-3-phenylpropane

2-phenethyl iodide

Refernces

• 1、 Imura, Yumi,Shimojuh, Naoya,Kawano, Yuhta,Togo, Hideo. "Novel preparation of ion-supported triphenylphosphines and their synthetic utility". scheme or table. p. 3421 - 3426. Retrieved 2010/06/19.