{[2-(Methoxycarbonyl)phenyl]methyl}(triphenyl)phosphanium bromide

Base Information

• Chemical Name: {[2-(Methoxycarbonyl)phenyl]methyl}(triphenyl)phosphanium bromide
• CAS No.: 60494-73-7
• Molecular Formula: C27H24 O2 P . Br
• Molecular Weight: 491.364
• NSC Number: 191255
• DSSTox Substance ID: DTXSID80444221
• ChEMBL ID: CHEMBL3229246
• Mol file: 60494-73-7.mol

Synonyms:60494-73-7;SCHEMBL3558232;CHEMBL3229246;DTXSID80444221;NCLHNDGKDCGRTH-UHFFFAOYSA-M;NSC191255;AKOS005216484;NSC-191255;o-carbomethoxybenzyltriphenylphosphonium bromide;2-(carbomethoxy)benzyl triphenylphosphonium bromide;2-methoxycarbonylbenzyltriphenylphosphonium bromide;(2-Methoxycarbonylbenzyl)triphenylphosphonium Bromide;(o-methoxycarbonylbenzyl)triphenylphosphonium bromide;(2-methoxycarbonylbenzyl)triphenyl-phosphonium bromide;{[2-(Methoxycarbonyl)phenyl]methyl}(triphenyl)phosphanium bromide

Chemical Property of {[2-(Methoxycarbonyl)phenyl]methyl}(triphenyl)phosphanium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 39.89000
• Density: g/cm³
• LogP: 1.97130
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 490.06973
• Heavy Atom Count: 31
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Technology Process of {[2-(Methoxycarbonyl)phenyl]methyl}(triphenyl)phosphanium bromide

There total 5 articles about {[2-(Methoxycarbonyl)phenyl]methyl}(triphenyl)phosphanium 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: 96.0%

methyl 2-bromomethylbenzoate (2417-73-4) + triphenylphosphine (603-35-0) → (2-methoxycarbonylbenzyl)triphenylphosphonium bromide (60494-73-7)

Guidance literature:

In N,N-dimethyl-formamide; at 50 - 60 ℃; for 12h;

DOI:10.1039/P19910001369

Reference yield: 82.2%

→ (2-methoxycarbonylbenzyl)triphenylphosphonium bromide (60494-73-7)

Guidance literature:

Reference yield:

2-Methyl-benzoic acid methyl ester (89-71-4) → (2-methoxycarbonylbenzyl)triphenylphosphonium bromide (60494-73-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N-bromsuccinimide; α,α'-azaisobutyronitrile / CHCl3 / 5 h / Heating

2: 51.9 g / acetone / 5 h / 60 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In chloroform; acetone;

DOI:10.1021/jm061072p

upstream raw materials:

methyl 2-bromomethylbenzoate

triphenylphosphine

2-Methyl-benzoic acid methyl ester

Downstream raw materials:

(Z)-methyl-2-<2-(3-furyl)vinyl>benzoate

2-((E)-2-Furan-3-yl-vinyl)-benzoic acid methyl ester

(Z)-methyl-2-<2-(3-thienyl)vinyl>benzoate

(E)-methyl-2-<2-(3-thienyl)vinyl>benzoate