[4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide

Base Information

• Chemical Name: [4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide
• CAS No.: 1253-46-9
• Molecular Formula: C27H24BrO2P
• Molecular Weight: 491.364
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID30377378
• Mol file: 1253-46-9.mol

Synonyms:1253-46-9;[4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide;(4-Methoxycarbonylbenzyl)triphenylphosphonium bromide;(4-methoxycarbonylphenyl)methyl-triphenylphosphanium;bromide;(4-(methoxycarbonyl)benzyl)triphenylphosphonium bromide;{[4-(methoxycarbonyl)phenyl]methyl}triphenylphosphanium bromide;Phosphonium, [[4-(methoxycarbonyl)phenyl]methyl]triphenyl-, bromide;4-carbomethoxybenzyltriphenylphosphonium bromide;[4-(methoxycarbonyl)benzyl]triphenylphosphonium bromide;(4-Methoxycarbonylbenzyl)triphenylphosphoniumbromide;C27H24BrO2P;SCHEMBL197541;(4-methoxycarbonylphenyl)methyl-triphenylphosphanium,bromide;DTXSID30377378;WUWDGVKUXDZLNU-UHFFFAOYSA-M;XHGWSZSSCBROEQ-UHFFFAOYSA-M;BAA25346;MFCD00082765;AKOS005071021;CS-0035771;FT-0602745;7K-902;O10107;4-carbomethoxybenzyl triphenylphosphonium bromide;p-Carbomethoxybenzyltriphenyl phosphonium bromide;(4-carbomethoxy) benzyltriphenylphosphonium bromide;(4-carbomethoxy)benzyltriphenylphosphonium bromide;(4-Carbomethoxybenzyl)triphenylphosphonium bromide;4-Carbomethoxybenzyl(triphenyl)phosphonium Bromide;4-methoxycarbonylbenzyltriphenylphosphonium bromide;A805375;J-501321;4-(Methoxycarbonyl)benzyl triphenylphosphonium bromide;4-methoxycarbonylphenylmethyltriphenylphosphine bromide;(4-(Methoxycarbonyl)benzyl)triphenyl-phosphonium bromide;(4-methoxycarbonyl-benzyl)-triphenyl-phosphonium bromide;(4-methoxycarbonyl-benzyl)-triphenyl-phosphonium-bromide;[4-(Methoxycarbonyl)benzyl](triphenyl)phosphoniumbromide;(4-methoxycarbonylphenyl)methyl triphenylphosphonium bromide;[4-(Methoxycarbonyl)benzyl] (triphenyl)phosphonium bromide;[4-(Methoxycarbonyl)benzyl](triphenyl)-phosphonium bromide;{[4-(Methoxycarbonyl)phenyl]methyl}(triphenyl)phosphanium bromide;Phosphonium,[[4-(methoxycarbonyl)phenyl]methyl]triphenyl-,bromide(1:1)

Chemical Property of [4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 258-260 °C
• PSA: 39.89000
• LogP: 1.97130
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in ethanol. Slightly soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 490.06973
• Heavy Atom Count: 31
• Complexity: 475

Purity/Quality:

99% ^*data from raw suppliers

4-Carbomethoxybenzyl(triphenyl)phosphoniumBromide ^*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: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• Uses: Useful intermediate for pharmaceutical and organic synthesis.

Technology Process of [4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide

There total 8 articles about [4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium 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: 100.0%

Methyl 4-(bromomethyl)benzoate (2417-72-3) + triphenylphosphine (603-35-0) → 4-methoxycarbonylbenzyltriphenylphosphonium bromide (1253-46-9)

Guidance literature:

In acetonitrile; Reflux;

DOI:10.1016/j.bmc.2011.03.065

Reference yield: 92.0%

Methyl 4-(bromomethyl)benzoate (2417-72-3) + triphenylphosphine (603-35-0) → <4-(Methoxycarbonyl)benzyl>triphenylphosphonium Bromide (1253-46-9)

Guidance literature:

In benzene; for 3h; Heating;

Reference yield: 91.6%

→ 4-methoxycarbonylbenzyltriphenylphosphonium bromide (1253-46-9)

Guidance literature:

upstream raw materials:

4-methyl-benzoic acid methyl ester

triphenylphosphine

Methyl 4-(bromomethyl)benzoate

4-bromomethylbenzoic Acid

Downstream raw materials:

4-(5-butyl-2-thienylvinyl)benzoic acid

methyl 4-<2-(2,4-diaminopyrido<2,3-d>pyrimidin-6-yl)ethenyl>benzoate

2-Methoxystilben-4'-carbonsaeuremethylester

methyl (Z)-4-{2-[2-(3,7-dimethyloctyloxy)-4-methylphenyl]ethenyl}benzoate

Refernces

• 1、 Vaday,Geiger,Cleary,Perlstein,Whitten. "Structure of aggregates of trans-4-alkoxy-4′-carboxystilbenes in the solid state and in microheterogeneous media. A link between the `unit aggregate' and extended arrays". . p. 321 - 329. Retrieved 1997.
• 2、 Boldt, Andrew M.,Dickinson, Sidney I.,Ramirez, Jonathan R.,Benz-Weeden, Anna M.,Wilson, David S.,Stevenson, Susan M.. "Reactions of benzyltriphenylphosphonium salts under photoredox catalysis". supporting information. p. 7810 - 7815. Retrieved 2021/09/28.
• 3、 Harmalkar, Dipesh S.,Lee, Sung-Jin,Lu, Qili,Kim, Mi Il,Park, Jaehyung,Lee, Hwayoung,Park, Minkyung,Lee, Ahrim,Lee, Choongho,Lee, Kyeong. "Identification of novel non-nucleoside vinyl-stilbene analogs as potent norovirus replication inhibitors with a potential host-targeting mechanism". supporting information. . Retrieved 2019/10/09.