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Heptyltriphenylphosphonium bromide

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Name

Heptyltriphenylphosphonium bromide

EINECS 236-539-5
CAS No. 13423-48-8 Density N/A
PSA 13.59000 LogP 2.95490
Solubility N/A Melting Point 173-176 °C(lit.)
Formula C25H30BrP Boiling Point N/A
Molecular Weight 441.391 Flash Point N/A
Transport Information N/A Appearance white fine crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 13423-48-8 (N-HEPTYLTRIPHENYLPHOSPHONIUM BROMIDE) Hazard Symbols IrritantXi
Synonyms

Heptyltriphenylphosphoniumbromide (7CI);Phosphonium, heptyltriphenyl-, bromide (8CI,9CI);Triphenylheptylphosphonium bromide;n-Heptyltriphenylphosphonium bromide;

Article Data 20

Heptyltriphenylphosphonium bromide Specification

The Phosphonium,heptyltriphenyl-, bromide (1:1) is an organic compound with the formula C25H30BrP. The IUPAC name of this chemical is heptyl(triphenyl)phosphanium bromide. With the CAS registry number 13423-48-8, it is also named as n-Heptyltriphenylphosphonium Bromide. The product's categories are Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; C-C Bond Formation; Olefination; Wittig Reagents. Besides, it is a white fine crystalline powder.

Preparation: this chemical can be prepared by triphenylphosphane and 1-bromo-heptane. This reaction will need reagent benzonitrile. The reaction reaction temperature is 140 °C. The yield is about 89%.

Uses of Phosphonium,heptyltriphenyl-, bromide (1:1): it can be used to produce 2,2-dimethyl-4-oct-1-enyl-[1,3]dioxolane at temperature of -78 °C. This reaction is a kind of Wittig olefination. It will need reagent n-BuLi and solvent tetrahydrofuran. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCCCCC
(2)InChI: InChI=1/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
(3)InChIKey: WCZSOHSGMBVYFW-REWHXWOFAE
(4)Std. InChI: InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M

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