Butanoic acid,3-oxo-4-(triphenylphosphoranylidene)-, ethyl ester supplier

Name
ETHYL 3-OXO-4-(TRIPHENYLPHOSPHORANYLIDENE)BUTYRATE
EINECS
CAS No. 13148-05-5
Article Data13
CAS DataBase
Density 1.18g/cm³
Solubility
Melting Point 101-106 °C
Formula C₂₄H₂₃O₃P
Boiling Point 544 °C at 760 mmHg
Molecular Weight 390.419
Flash Point 295.8 °C
Transport Information
Appearance Off-White Powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoaceticacid, 4-(triphenylphosphoranylidene)-, ethyl ester (7CI,8CI);3-Oxo-4-(triphenylphosphoranylidene)butanoic acid ethyl ester;4-(Triphenylphosphoranylidene)acetoacetic acid ethyl ester;[3-(Ethoxycarbonyl)-2-oxopropylidene]triphenylphosphorane;
PSA 53.18000
LogP 3.30500

Butanoic acid,3-oxo-4-(triphenylphosphoranylidene)-, ethyl ester Specification

The Butanoic acid,3-oxo-4-(triphenylphosphoranylidene)-, ethyl ester, with CAS registry number 13148-05-5, belongs to the following product categories: (1)Miscellaneous Reagents; (2)C-C Bond Formation; (3)Olefination; (4)Wittig Reagents. It has the systematic name of ethyl 3-oxo-4-(triphenyl-lambda~5~-phosphanylidene)butanoate. And the chemical formula of this chemical is C₂₄H₂₃O₃P. This chemical is a kind of off-white powder. When use this chemical, avoid contact with skin and eyes.

Physical properties of Butanoic acid,3-oxo-4-(triphenylphosphoranylidene)-, ethyl ester: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 53.18 Å²; (7)Index of Refraction: 1.596; (8)Molar Refractivity: 112.23 cm³; (9)Molar Volume: 329.5 cm³; (10)Polarizability: 44.49×10^-24cm³; (11)Surface Tension: 49.1 dyne/cm; (12)Density: 1.18 g/cm³; (13)Flash Point: 295.8 °C; (14)Enthalpy of Vaporization: 82.25 kJ/mol; (15)Boiling Point: 544 °C at 760 mmHg; (16)Vapour Pressure: 6.78E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by (3-ethoxycarbonyl-2-oxo-propyl)-triphenyl-phosphonium; bromide. This reaction will need reagent NaCO₃ and H₂O. The reaction time is 12 hour(s). The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C24H23O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19H,2,18H2,1H3
(3)InChIKey: QYXSFVCJCUXGJH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C24H23O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19H,2,18H2,1H3
(5)Std. InChIKey: QYXSFVCJCUXGJH-UHFFFAOYSA-N

Product Name

ETHYL 3-OXO-4-(TRIPHENYLPHOSPHORANYLIDENE)BUTYRATE

Butanoic acid,3-oxo-4-(triphenylphosphoranylidene)-, ethyl ester Specification

Related Products

Hot Products