CAS No.74696-96-1,3-ACETYL-7-(DIETHYLAMINO)-2H-CHROMEN-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74696-96-1
Name:	3-ACETYL-7-(DIETHYLAMINO)-2H-CHROMEN-2-ONE
Article Data:	87

Formula:	C₁₅H₁₇NO₃
Molecular Weight:	259.305
Synonyms:	3-Acetyl-7-(diethylamino)coumarin;7-Diethylamino-3-acetylchromen-2-one;7-N,N-Diethylamino-3-acetylcoumarin;3-acetyl-7-(diethylamino)-2H-chromen-2-one;2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-;3-Acetyl-7-(diethylamino)-2H-chromen-2-one;3-Acetyl-7-diethylamino-chromen-2-one;
Density:	1.193 g/cm³
Melting Point:	150-153 °C
Boiling Point:	463.1 °C at 760 mmHg
Flash Point:	233.9 °C
PSA:	50.52000
LogP:	2.84180

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Specification

The 2H-1-Benzopyran-2-one,3-acetyl-7-(diethylamino)-, with the CAS registry number 74696-96-1, has the systematic name of 3-acetyl-7-(diethylamino)-2H-chromen-2-one. It is a kind of organics, and the molecular formula of the chemical is C₁₅H₁₇NO₃.

The characteristics of 2H-1-Benzopyran-2-one,3-acetyl-7-(diethylamino)- are as followings: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 46.61 Å²; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 72.54 cm³; (9)Molar Volume: 217.3 cm³; (10)Polarizability: 28.75×10^-24cm³; (11)Surface Tension: 47.9 dyne/cm; (12)Density: 1.193 g/cm³; (13)Flash Point: 233.9 °C; (14)Enthalpy of Vaporization: 72.43 kJ/mol; (15)Boiling Point: 463.1 °C at 760 mmHg; (16)Vapour Pressure: 9.33E-09 mmHg at 25°C.

Uses of 2H-1-Benzopyran-2-one,3-acetyl-7-(diethylamino)-: It can react with 1,3,3-Tris-dimethylamino-propen-(1) to produce 7-diethylamino-3-(5-dimethylamino-penta-2,4-dienoyl)-chromen-2-one. This reaction will need menstruum benzene. The reaction time is 0.1 hours with temperature of 80°C, and the yield is about 77%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C\1=C\c2c(OC/1=O)cc(cc2)N(CC)CC)C
(2)InChI: InChI=1/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3
(3)InChIKey: JQYDECSZBZCKFQ-UHFFFAOYAN