Methanone,[5-chloro-2-[(cyclopropylmethyl)amino]phenyl]phenyl- (2897-00-9)

The 2-Cyclopropylmethylamino-5-chlorobenzophenone is an organic compound with the formula C₁₇H₁₆ClNO. The systematic name of this chemical is {5-chloro-2-[(cyclopropylmethyl)amino]phenyl}(phenyl)methanone. With the CAS registry number 2897-00-9, it is also named as Methanone, [5-chloro-2-[(cyclopropylmethyl)amino]phenyl]phenyl-.

Physical properties about 2-Cyclopropylmethylamino-5-chlorobenzophenone are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/LogD (pH 7.4): 5.56; (5)ACD/BCF (pH 5.5): 9840.16; (6)ACD/BCF (pH 7.4): 9845.32; (7)ACD/KOC (pH 5.5): 25102.41; (8)ACD/KOC (pH 7.4): 25115.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 82.39 cm³; (15)Molar Volume: 228.2 cm³; (16)Polarizability: 32.66×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 237.8 °C; (20)Enthalpy of Vaporization: 73.2 kJ/mol; (21)Boiling Point: 469.6 °C at 760 mmHg; (22)Vapour Pressure: 5.42E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and carbon monoxide. This reaction will need solvent CHCl₃. The reaction time is 31 hours with reaction temperature of 40 - 45 °C. The yield is about 13%.

Uses of 2-Cyclopropylmethylamino-5-chlorobenzophenone: it can be used to produce 7-chloro-1-cyclopropylmethyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one at temperature of 45 - 50 °C. It will need solvent methanol and CHCl₃ with reaction time of 31 hours. The yield is about 45%. 

The yield is about 45%.You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(NCC1CC1)cc2)C(=O)c3ccccc3
(2)InChI: InChI=1/C17H16ClNO/c18-14-8-9-16(19-11-12-6-7-12)15(10-14)17(20)13-4-2-1-3-5-13/h1-5,8-10,12,19H,6-7,11H2
(3)InChIKey: WCRKZICZCPHVAB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C17H16ClNO/c18-14-8-9-16(19-11-12-6-7-12)15(10-14)17(20)13-4-2-1-3-5-13/h1-5,8-10,12,19H,6-7,11H2
(5)Std. InChIKey: WCRKZICZCPHVAB-UHFFFAOYSA-N