PHENOXYACETIC ANHYDRIDE

The Phenoxyacetic anhydride, with the CAS registry number 14316-61-1, is also known as Acetic acid,2-phenoxy-, 1,1'-anhydride. It belongs to the product categories of Carbonyl Compounds; Carboxylic Acid Anhydrides; Organic Building Blocks; Building Blocks; Carbonyl Compounds; Chemical Synthesis; Organic Building Blocks. This chemical's molecular formula is C₁₆H₁₄O₅ and molecular weight is 286.28. What's more, its systematic name is Phenoxyacetic anhydride.

Physical properties of Phenoxyacetic anhydride are: (1)ACD/LogP: 2.522; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.57; (6)ACD/BCF (pH 7.4): 48.57; (7)ACD/KOC (pH 5.5): 560.70; (8)ACD/KOC (pH 7.4): 560.70; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 74.884 cm³; (15)Molar Volume: 231.951 cm³; (16)Polarizability: 29.686×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.234 g/cm³; (19)Flash Point: 190.029 °C; (20)Enthalpy of Vaporization: 68.286 kJ/mol; (21)Boiling Point: 427.823 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Phenoxyacetic anhydride: this chemical can be prepared by phenoxyacetic acid at the temperature of 20 °C. This reaction will need reagents N(C₂H₅)₃, N,N-bis<2-oxo-3-oxazolidinyl>phosphorodiamidic chloride and solvent CH₂Cl₂ with the reaction time of 30 min. The yield is about 95%.

Uses of Phenoxyacetic anhydride: it can be used to produce 2-phenoxy-N-[2-(2-phenoxy-acetylamino)-9H-purin-6-yl]-acetamide at the temperature of 85 °C. It will need solvent pyridine with the reaction time of 3 hours. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(=O)COc1ccccc1)COc2ccccc2
(2)Std. InChI: InChI=1S/C16H14O5/c17-15(11-19-13-7-3-1-4-8-13)21-16(18)12-20-14-9-5-2-6-10-14/h1-10H,11-12H2
(3)Std. InChIKey: CCSBNBKMACZDGN-UHFFFAOYSA-N