Phosphonium,(2-ethoxy-1-methyl-2-oxoethyl)triphenyl-, bromide (1:1) (30018-16-7)

The IUPAC name of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide is (1-Ethoxy-1-oxopropan-2-yl)-triphenylphosphanium bromide. With the CAS registry number 30018-16-7, it is also named as Phosphonium,(2-ethoxy-1-methyl-2-oxoethyl)triphenyl-, bromide (1:1). The product is Hygroscopic and souble in water. Besides, it is white to off-white powder, which should be stored in refrigerator at the temperature of 4 °C. In addition, its molecular formula is C₂₃H₂₄BrO₂P and molecular weight is 443.32.

The other characteristics of this product can be summarized as: (1)EINECS: 250-002-2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 7; (5)Exact Mass: 442.069729; (6)MonoIsotopic Mass: 442.069729; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 27; (9)Complexity: 386; (10)Melting point: 145-149 °C.

Preparation of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide: this chemical can be prepared by Triphenylphosphane and 2-Bromo-propionic acid ethyl ester.



This reaction needs Benzene and Toluene at temperature of 20 °C. The reaction time is 36 hours. The yield is 94 %.

Uses of [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide: it can react with Phenyl-maleic acid anhydride to get 2-(5-Oxo-4-phenyl-5H-furan-2-ylidene)-propionic acid ethyl ester.



This reaction needs K₂CO₃, LiBr and Tetrahydrofuran. The reaction time is 12 hours. The yield is 92 %.

When you are using this chemical, please be cautious about it as the following: [1-(Ethoxycarbonyl)ethyl]triphenylphosphonium bromide is harmful if swallowed and irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, if contact with water, it liberates toxic gas. Please keep container dry. Furthermore, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Br-].O=C(OCC)C(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI:InChI=1/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1
(3)InChIKey:RSYXORMKBUFAMS-REWHXWOFAG
(4)Std. InChI:InChI=1S/C23H24O2P.BrH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey:RSYXORMKBUFAMS-UHFFFAOYSA-M