Introduction：Basic information about Ethyl (triphenylphosphoranylidene)acetate CAS 1099-45-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ethyl (triphenylphosphoranylidene)acetate Basic informationDescription
| Product Name: | Ethyl (triphenylphosphoranylidene)acetate |
| Synonyms: | (triphenylphosphoranylidene)-aceticaciethylester;(ETHOXYCARBONYLMETHYLENE)TRIPHENYLPHOSPHORANE;ETHYL (TRIPHENYLPHOSPHORANYLIDEN)ACETATE;ETHYL (TRIPHENYLPHOSPHORANYLIDENE)ACETATE;ETHYL (TRIPHENYLPHOSPHORYLIDENE)ACETATE;EMY;(CARBOETHOXYMETHYLENE)TRIPHENYLPHOSPHORANE;(CARBETHOXYMETHYLENE)TRIPHENYLPHOSPHORANE |
| CAS: | 1099-45-2 |
| MF: | C22H21O2P |
| MW: | 348.37 |
| EINECS: | 214-151-7 |
| Product Categories: | Synthetic Organic Chemistry;Wittig & Horner-Emmons Reaction;Wittig Reaction;Intermediates & Fine Chemicals;Pharmaceuticals;bc0001 |
| Mol File: | 1099-45-2.mol |
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Ethyl (triphenylphosphoranylidene)acetate Chemical Properties
| Melting point | 128-130 °C (lit.) |
| Boiling point | 490.4±28.0 °C(Predicted) |
| density | 1.086 g/cm3 |
| storage temp. | 2-8°C |
| solubility | Chloroform, THF |
| form | Powder |
| color | White to light yellow |
| Water Solubility | Insoluble |
| Sensitive | Air Sensitive |
| BRN | 754639 |
| InChI | InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3 |
| InChIKey | IIHPVYJPDKJYOU-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| CAS DataBase Reference | 1099-45-2(CAS DataBase Reference) |
| EPA Substance Registry System | Acetic acid, (triphenylphosphoranylidene)-, ethyl ester (1099-45-2) |
Safety Information
| Hazard Codes | T,Xi,Xn |
| Risk Statements | 36/37/38-25-20/21/22 |
| Safety Statements | 22-24/25-45-37/39-26-36 |
| RIDADR | UN2811 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29310095 |
| Storage Class | 11 - Combustible Solids |
Ethyl (triphenylphosphoranylidene)acetate Usage And Synthesis
| Description | Ethyl (triphenylphosphoranylidene)acetate is a common Wittig reagent in organic synthesis as well as a cholinesterase inhibitor that inhibits both AChE and BChE. It is used in the preparation of indole from o-nitrobenzaldehydes, coumarins from o-hydroxy acetophenone. |
| Chemical Properties | Off-White Solid |
| Uses | (Ethoxycarbonylmethylene)triphenylphosphoran is used as a Wittig reagent in organic synthesis. It is used in the preparation of indole from o-nitrobenzaldehydes, coumarins from o-hydroxy acetophenone. It acts as an inhibitor and inhibits the activity of cholinesterase. |
| Uses | A common Wittig reagent. A cholinesterase inhibitor. |
| reaction suitability | reaction type: C-C Bond Formation |
| Purification Methods | Crystallise it by dissolving it in AcOH and adding pet ether (b 40-50o) to give colourless plates. UV (A 1% ): 222nm (865) and 268nm (116) [Isler et max 1mm al. Helv Chim Acta 40 1242 1957]. [Beilstein 16 IV 977.] |
Ethyl (triphenylphosphoranylidene)acetate Preparation Products And Raw materials
| Preparation Products | 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran-->8-HYDROXY-7-METHOXYCOUMARIN-->Scopoletin-->[1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide-->Ethyl 4-methoxycinnamate-->(Carbethoxymethyl)triphenylphosphonium bromide-->2,4-HEPTADIEN-1-OL-->7,8-Dihydroxycoumarin-->(1-BENZYLPIPERIDIN-4-YLIDENE)ACETIC ACID ETHYL ESTER |
