CAS No.1253-46-9,4-CARBOMETHOXYBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1253-46-9
Name:	4-CARBOMETHOXYBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE
Article Data:	19

Formula:	C₂₇H₂₄BrO₂P
Molecular Weight:	491.364
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);
Melting Point:	258-260 °C
Solubility:	Soluble in ethanol. Slightly soluble in water.
Appearance:	White crystalline powder
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	39.89000
LogP:	1.97130

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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