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| CAS No.: | 78385-36-1 |
|---|---|
| Name: | (Benzyloxycarbonylmethyl)triphenylphosphonium bromide |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C27H24BrO2P |
| Molecular Weight: | 491.364 |
| Synonyms: | Phosphonium,[2-oxo-2-(phenylmethoxy)ethyl]triphenyl-, bromide (9CI);Benzyloxycarbonylmethyltriphenylphosphoniumbromide; |
| Melting Point: | 124 °C (dec.)(lit.) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 39.89000 |
| LogP: | 1.72790 |
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Specification
The CAS register number of (Benzyloxycarbonylmethyl)triphenylphosphonium bromide is 78385-36-1. It also can be called as Phosphonium,[2-oxo-2-(phenylmethoxy)ethyl]triphenyl-, bromide (1:1) and the systematic name about this chemical is [2-(benzyloxy)-2-oxoethyl](triphenyl)phosphonium bromide. The molecular formula about this chemical is C27H24BrO2P and the molecular weight is 491.36. It belongs to the following product categories, such as C-C Bond Formation; Olefination; Wittig Reagents and so on.
Physical properties about (Benzyloxycarbonylmethyl)triphenylphosphonium bromide are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 8; (3)Polar Surface Area: 26.3 Å2.
Uses of (Benzyloxycarbonylmethyl)triphenylphosphonium bromide: it can be used to produce 4,4,4-trifluoro-3-oxo-2-(triphenyl-l5-phosphanylidene)-butyric acid benzyl ester with trifluoroacetic acid anhydride. This reaction will need reagent triethylamine and solvent tetrahydrofuran with reaction time of 1 hours. The yield is about 98%.
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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-].O=C(OCc1ccccc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C27H24O2P.BrH/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
(3)InChIKey: AVQABZVTPWROCF-REWHXWOFAF
(4)Std. InChI: InChI=1S/C27H24O2P.BrH/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
(5)Std. InChIKey: AVQABZVTPWROCF-UHFFFAOYSA-M