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| CAS No.: | 17857-14-6 |
|---|---|
| Name: | (3-CARBOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C22H22BrO2P |
| Molecular Weight: | 429.293 |
| Synonyms: | (3-Carboxypropyl)triphenylphosphonium bromide; |
| EINECS: | -0 |
| Melting Point: | 244-247 °C(lit.) |
| Solubility: | Soluble in water. soluble in ethanol. |
| Appearance: | White powder and granules |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 50.89000 |
| LogP: | 0.84930 |
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Specification
The CAS register number of 3-Carboxypropyltriphenylphosphonium bromide is 17857-14-6. It also can be called as (3-Carboxypropyl)triphenylphosphonium bromide and the systematic name about this chemical is (3-carboxypropyl)(triphenyl)phosphonium bromide. It belongs to the following product categories, such as Miscellaneous Compounds, Phosphonium Compounds, C-C Bond Formation, Olefination, Wittig Reagents and so on.
Physical properties about 3-Carboxypropyltriphenylphosphonium bromide are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 26.3Å2.
Preparation: this chemical can be prepared by triphenylphosphane and 4-bromo-butyric acid. The reaction time is 3 hour(s) with reaction temperature of 180 ℃. The yield is about 80%.
Uses of 3-Carboxypropyltriphenylphosphonium bromide: it can be used to produce 6-(2,2-dimethyl-[1,3]dioxolan-4-yl)-hex-4-enoic acid with (2,2-dimethyl-[1,3]dioxolan-4-yl)-acetaldehyde at temperature of -78 ℃. This reaction is a kind of Wittig reaction. It will need reagent LiHMDS, HMPA and solvent tetrahydrofuran with reaction time of 3 hours. The yield is about 78%.
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-].OC(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H
(3)InChIKey: NKVJKVMGJABKHV-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H