(4-Methoxycarbonylbenzyl)triphenylphosphonium bromide supplier

Name
4-CARBOMETHOXYBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE
EINECS
CAS No. 1253-46-9
Article Data19
CAS DataBase
Density
Solubility Soluble in ethanol. Slightly soluble in water.
Melting Point 258-260 °C
Formula C₂₇H₂₄BrO₂P
Boiling Point
Molecular Weight 491.364
Flash Point
Transport Information
Appearance White crystalline powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 4-Carbomethoxybenzyl(triphenyl)phosphonium bromide;[[4-(Methoxycarbonyl)phenyl]methyl]triphenylphosphoniumbromide;[p-(Carbomethoxybenzyl)triphenyl]phosphonium bromide;[p-(Methoxycarbonyl)benzyl]triphenylphosphonium bromide;(p-Carboxybenzyl)triphenylphosphoniumbromide, methyl ester (7CI);Phosphonium, (p-carboxybenzyl)triphenyl-, bromide,methyl ester (8CI);Phosphonium, [[4-(methoxycarbonyl)phenyl]methyl]triphenyl-,bromide (9CI);
PSA 39.89000
LogP 1.97130

(4-Methoxycarbonylbenzyl)triphenylphosphonium bromide Specification

The Phosphonium,[[4-(methoxycarbonyl)phenyl]methyl]triphenyl-, bromide (1:1), with the CAS registry number 1253-46-9, has the systematic name of [4-(methoxycarbonyl)benzyl](triphenyl)phosphonium bromide. It is a kind of hygroscopic chemical, and the molecular formula of the chemical is C₂₇H₂₄BrO₂P.

The characteristics of Phosphonium,[[4-(methoxycarbonyl)phenyl]methyl]triphenyl-, bromide (1:1) are as followings: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 26.3 Å².

Uses of Phosphonium,[[4-(methoxycarbonyl)phenyl]methyl]triphenyl-, bromide (1:1): It can react with 2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidine-6-carbaldehyde to produce methyl 4-[2-(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)ethenyl]benzoate. This reaction will need reagent NaOMe, and the menstruum dimethylformamide. The reaction time is 7 days with temperature of 20-25°C, and the yield is about 34%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Br-].O=C(OC)c1ccc(cc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C27H24O2P.BrH/c1-29-27(28)23-19-17-22(18-20-23)21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
(3)InChIKey: WUWDGVKUXDZLNU-REWHXWOFAC

Product Name

4-CARBOMETHOXYBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE

(4-Methoxycarbonylbenzyl)triphenylphosphonium bromide Specification

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