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| CAS No.: | 21406-61-1 |
|---|---|
| Name: | PENTYLTRIPHENYLPHOSPHONIUM BROMIDE |
| Article Data: | 19 |
| Molecular Structure: | |
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|
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| Formula: | C23H26P.Br |
| Molecular Weight: | 413.337 |
| Synonyms: | Pentyltriphenylphosphoniumbromide (7CI);Phosphonium, pentyltriphenyl-, bromide (8CI,9CI);Amyltriphenylphosphonium bromide;Pentyltriphenylphosphonium bromide;N-Pentyl triphenylphosphonium bromide; |
| EINECS: | 244-374-5 |
| Melting Point: | 165-168 °C |
| Solubility: | Partly miscible in water. Soluble in methanol and chloroform. |
| Appearance: | light brown to yellow-brown crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 13.59000 |
| LogP: | 2.17470 |
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Specification
The IUPAC name of Pentyltriphenylphosphonium bromide is pentyl(triphenyl)phosphanium bromide. With the CAS registry number 21406-61-1, it is also named as N-Pentyl triphenylphosphonium bromide. The product's categories are Phosphonium Compounds; Wittig & Horner-Emmons Reaction; Wittig Reaction; Synthetic Organic Chemistry. Besides, it is light brown to yellow-brown crystalline powder, which should be stored in tightly sealed containers in a cool, dry place. In addition, its molecular formula is C23H26P.Br and molecular weight is 413.33.
The other characteristics of this product can be summarized as: (1)EINECS: 244-374-5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 7; (5)Exact Mass: 412.09555; (6)MonoIsotopic Mass: 412.09555; (7)Topological Polar Surface Area: 0; (8)Heavy Atom Count: 25; (9)Complexity: 286; (10)Melting Point: 165-168 °C.
Preparation of Pentyltriphenylphosphonium bromide: this chemical can be prepared by the reaction of triphenylphosphane with 1-bromo-pentane.
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This reaction needs acetonitrile by heating for 24 hours. The yield is 92 %.
Uses of Pentyltriphenylphosphonium bromide: it can react with (E)-2,6-Heptadienal to get (5E,7Z)-1,5,7-Dodecatrien.
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This reaction needs sodium bis(trimethylsilyl)amide and tetrahydrofuran. The yield is 69 %.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It also irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Br-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCCC
(2)InChI: InChI=1/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1
(3)InChIKey: VAUKWMSXUKODHR-REWHXWOFAA