(3-Nitrobenzyl)triphenylphosphoniuM chloride

Base Information

• Chemical Name: (3-Nitrobenzyl)triphenylphosphoniuM chloride
• CAS No.: 34906-44-0
• Molecular Formula: C25H21NO2P.Cl
• Molecular Weight: 433.874
• DSSTox Substance ID: DTXSID60597087
• Mol file: 34906-44-0.mol

Synonyms:34906-44-0;(3-Nitrobenzyl)triphenylphosphoniuM chloride;(3-nitrophenyl)methyl-triphenylphosphanium;chloride;Phosphonium, [(3-nitrophenyl)methyl]triphenyl-, chloride;SCHEMBL7117545;DTXSID60597087;ZWKYBYNKMQZFJL-UHFFFAOYSA-M;AB87310;3-Nitrobenzyltriphenylphosphonium chloride;(3-Nitrobenzyl)triphenylphosphoniuMchloride;[(3-Nitrophenyl)methyl](triphenyl)phosphanium chloride

Chemical Property of (3-Nitrobenzyl)triphenylphosphoniuM chloride

Chemical Property:

• PSA: 59.41000
• LogP: 2.61610
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 433.0998436
• Heavy Atom Count: 30
• Complexity: 470

Purity/Quality:

95%-98% ^*data from raw suppliers

(3-Nitrobenzyl)triphenylphosphoniumchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Technology Process of (3-Nitrobenzyl)triphenylphosphoniuM chloride

There total 1 articles about (3-Nitrobenzyl)triphenylphosphoniuM chloride 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: 65.0%

triphenylphosphine (603-35-0) + 3-Nitrobenzyl chloride (619-23-8) → [(3-nitrophenyl)methyl]triphenylphosphonium chloride (34906-44-0)

Guidance literature:

In benzene; for 48h; Heating / reflux;

Reference yield: 93.0%

ethyl 8-oxo-octanoate (1540-83-6) + [(3-nitrophenyl)methyl]triphenylphosphonium chloride (34906-44-0) → 7-(3-aminophenyl)-1-heptanol (236754-29-3)

Guidance literature:

[(3-nitrophenyl)methyl]triphenylphosphonium chloride; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -20 ℃; for 0.333333h;

ethyl 8-oxo-octanoate; In tetrahydrofuran; hexane; at -20 ℃; for 2h;

With hydrogen; palladium on activated charcoal; In methanol; benzene; at 20 ℃; for 3h;

DOI:10.1016/S0040-4020(99)00375-0

Reference yield: 65.0%

phenylmethylsulphonyl fluoride (329-98-6) + [(3-nitrophenyl)methyl]triphenylphosphonium chloride (34906-44-0) → [(benzylsulfonyl)(3-nitrophenyl)methylene](triphenyl)phosphorane (878801-18-4)

Guidance literature:

[(3-nitrophenyl)methyl]triphenylphosphonium chloride; With n-butyllithium; In tetrahydrofuran; hexane; at 20 ℃; for 1h;

phenylmethylsulphonyl fluoride; In tetrahydrofuran; hexane; at 20 ℃;

DOI:10.1139/v05-210

upstream raw materials:

triphenylphosphine

3-Nitrobenzyl chloride

Downstream raw materials:

ethyl 7-(3-nitrophenyl)-6-heptenoate

7-(3-aminophenyl)-1-heptanol

[(benzylsulfonyl)(3-nitrophenyl)methylene](triphenyl)phosphorane

cis-1-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-ethylene