(2-Cyanoethyl)triphenylphosphonium bromide

Base Information

• Chemical Name: (2-Cyanoethyl)triphenylphosphonium bromide
• CAS No.: 5032-74-6
• Molecular Formula: C21H19BrNP
• Molecular Weight: 0
• European Community (EC) Number: 610-525-2
• UNII: QK7U17940W
• Mol file: 5032-74-6.mol

Synonyms:(2-Cyanoethyl)triphenylphosphonium bromide;5032-74-6;QK7U17940W;UNII-QK7U17940W;Phosphonium, (2-cyanoethyl)triphenyl-, bromide;P-(2-Cyanoethyl)-P,P,P-triphenylphosphonium bromide;Phosphonium, (2-cyanoethyl)triphenyl-, bromide (1:1);2-CYANOETHYL TRIPHENYL PHOSPHONIUM BROMIDE;AKOS001094018;2-cyanoethyl(triphenyl)phosphanium;bromide;Z89264512

Chemical Property of (2-Cyanoethyl)triphenylphosphonium bromide

Chemical Property:

• Melting Point: 218-220 °C
• PSA: 37.38000
• LogP: 0.89818
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 395.04385
• Heavy Atom Count: 24
• Complexity: 346

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Cyanoethyl)triphenylphosphonium bromide

There total 4 articles about (2-Cyanoethyl)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: 53.0%

2,3-dibromopropionitrile (4554-16-9) + triphenylphosphine (603-35-0) → 3-(triphenylphosphonio)propionitrile bromide (5032-74-6)

Guidance literature:

2,3-dibromopropionitrile; triphenylphosphine; In acetonitrile; for 9h; Heating;

With water; In acetonitrile; Further stages.;

DOI:10.1007/s11176-006-0009-z

Reference yield: 25.25%

2-bromoacrylic acid amide (70321-36-7) + triphenylphosphine (603-35-0) → 3-(triphenylphosphonio)propionitrile bromide (5032-74-6) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

In acetonitrile; for 20h; Reflux;

DOI:10.1134/S1070363209040148

Reference yield:

3-bromo-2-pyridiniumbromidopropionic acid amide (1207320-74-8) + triphenylphosphine (603-35-0) → 1-triphenylphosphoniumbromido-2-pyridiniumbromidoethane + 3-(triphenylphosphonio)propionitrile bromide (5032-74-6) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With water; In acetonitrile; for 20h; Reflux;

DOI:10.1134/S1070363209040148

upstream raw materials:

bromopropionitrile

triphenylphosphine

2,3-dibromopropionitrile

3-bromo-2-pyridiniumbromidopropionic acid amide