The Benzaldehyde,4-[bis[2-(acetyloxy)ethyl]amino]-, with the CAS registry number 41313-77-3, is also known as Benzaldehyde,p-[bis(2-hydroxyethyl)amino]-, diacetate (6CI) and 4-Formyldiacetyl-N-phenyldiethanolamine. It belongs to the product categories of C10 to C21Photonic and Optical Materials; Aldehydes; Carbonyl Compounds; NLO Chromophores and Intermediates; Non-Linear Optical (NLO) Materials. This chemical's molecular formula is C15H19NO5 and molecular weight is 293.32. What's more, its IUPAC name is 2-[N-(2-Acetyloxyethyl)-4-formylanilino]ethyl acetate.
Physical properties about Benzaldehyde,4-[bis[2-(acetyloxy)ethyl]amino]- are: (1) ACD/LogP: 1.73; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 6; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 10; (6) Polar Surface Area: 72.91 Å2; (7) Index of Refraction: 1.554; (8) Molar Refractivity: 78.66 cm3; (9) Molar Volume: 245 cm3; (10) Polarizability: 31.18×10-24 cm3; (11) Surface Tension: 47.2 dyne/cm; (12) Density: 1.196 g/cm3; (13) Flash Point: 212.5 °C; (14) Enthalpy of Vaporization: 68.29 kJ/mol; (15) Boiling Point: 427.8 °C at 760 mmHg; (16) Vapour Pressure: 1.59E-07 mmHg at 25 °C.
Preparation of Benzaldehyde,4-[bis[2-(acetyloxy)ethyl]amino]-: this chemical can be prepared by N,N-Dimethyl-formamide and N,N-Bis-(2-acetoxy-ethyl)-aniline. This reaction needs reagent POCl3.The reaction time is 2 hours at temperature of 0 °C. The yield is 82 %. And the reaction equation is as followed:
Uses of Benzaldehyde,4-[bis[2-(acetyloxy)ethyl]amino]-: it is used to produce other chemicals. For example, it is used to produce 4-[Bis-(2-hydroxy-ethyl)-amino]-benzaldehyde. The reaction occurs with reagent Na2CO3 and solvents methanol, H2O. The reaction time is 15 hours. The yield is 99 %. And the reaction equation is as followed:
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCN(c1ccc(cc1)C=O)CCOC(=O)C)C
(2) InChI: InChI=1/C15H19NO5/c1-12(18)20-9-7-16(8-10-21-13(2)19)15-5-3-14(11-17)4-6-15/h3-6,11H,7-10H2,1-2H3
(3) InChIKey: HYLXLGFSGXFLFE-UHFFFAOYAO
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