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50784-07-1

Basic Information
CAS No.: 50784-07-1
Name: N-ALLYLISATOIC ANHYDRIDE
Article Data: 11
Molecular Structure:
Molecular Structure of 50784-07-1 (N-ALLYLISATOIC ANHYDRIDE)
Formula: C11H9NO3
Molecular Weight: 203.197
Synonyms: 1-Allyl-2H-3,1-benzoxazine-2,4(1H)-dione;N-Allylisatoic anhydride;
Density: 1.265 g/cm3
Melting Point: 104-106 °C
Boiling Point: 325.6 °C at 760 mmHg
Flash Point: 150.7 °C
Hazard Symbols: IrritantXi
PSA: 52.21000
LogP: 1.14070
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Specification

The 2H-3,1-Benzoxazine-2,4(1H)-dione,1-(2-propen-1-yl)-, with the CAS registry number 50784-07-1, is also known as 1-Allyl-2H-3,1-benzoxazine-2,4(1H)-dione. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.1941. What's more, its systematic name is 1-(Prop-2-en-1-yl)-2H-3,1-benzoxazine-2,4(1H)-dione.

Physical properties about 2H-3,1-Benzoxazine-2,4(1H)-dione,1-(2-propen-1-yl)- are: (1)ACD/LogP: 1.50; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 52.93 cm3; (9)Molar Volume: 160.5 cm3; (10)Polarizability: 20.98×10-24 cm3; (11)Surface Tension: 46.3 dyne/cm; (12)Density: 1.265 g/cm3; (13)Flash Point: 150.7 °C; (14)Enthalpy of Vaporization: 56.77 kJ/mol; (15)Boiling Point: 325.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000228 mmHg at 25 °C.

Uses of 2H-3,1-Benzoxazine-2,4(1H)-dione,1-(2-propen-1-yl)-: it can react with Benzylamino-acetaldehyde diethylacetal to give 2-Allylamino-N-benzyl-N-(2,2-diethoxy-ethyl)-benzamide. The reaction occurs with solvent Dimethylformamide and other condition of heating for 1 hour. The yield is 56 %.

2H-3,1-Benzoxazine-2,4(1H)-dione,1-(2-propen-1-yl)- can react with Benzylamino-acetaldehyde diethylacetal to give 2-Allylamino-N-benzyl-N-(2,2-diethoxy-ethyl)-benzamide.2H-3,1-Benzoxazine-2,4(1H)-dione,1-(2-propen-1-yl)- can react with Benzylamino-acetaldehyde diethylacetal to give 2-Allylamino-N-benzyl-N-(2,2-diethoxy-ethyl)-benzamide.2H-3,1-Benzoxazine-2,4(1H)-dione,1-(2-propen-1-yl)- can react with Benzylamino-acetaldehyde diethylacetal to give 2-Allylamino-N-benzyl-N-(2,2-diethoxy-ethyl)-benzamide.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)N(c2ccccc12)C\C=C
(2) InChI: InChI=1/C11H9NO3/c1-2-7-12-9-6-4-3-5-8(9)10(13)15-11(12)14/h2-6H,1,7H2
(3) InChIKey: LPYKDXKUIKQFQI-UHFFFAOYAC