2-Amino-3-o-chlorobenzoyl-5-ethylthiophene

The 2-Amino-3-(2-chlorobenzoyl)-5-ethylthiophene, with the CAS registry number 50508-60-6, is also known as 2-Amino-3-(o-chlorobenzoyl)-5-ethylthiophene. This chemical's molecular formula is C₁₃H₁₂ClNOS and molecular weight is 265.76. What's more, both its IUPAC name and systematic name are the same which is called (2-Amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone.

Physical properties about 2-Amino-3-(2-chlorobenzoyl)-5-ethylthiophene are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 657.61; (6)ACD/BCF (pH 7.4): 657.61; (7)ACD/KOC (pH 5.5): 3619.94; (8)ACD/KOC (pH 7.4): 3619.94; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 71.33 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 73.111 cm³; (15)Molar Volume: 204.076 cm³; (16)Surface Tension: 52.13 dyne/cm; (17)Density: 1.302 g/cm³; (18)Flash Point: 228.861 °C; (19)Enthalpy of Vaporization: 71.446 kJ/mol; (20)Boiling Point: 454.81 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 2-Amino-3-(2-chlorobenzoyl)-5-ethylthiophene: this chemical can be prepared by butyraldehyde with 3-(2-chloro-phenyl)-3-oxo-propionitrile. This reaction needs reagents sulfur, Et₃N. The yield is 57 %.

Uses of 2-Amino-3-(2-chlorobenzoyl)-5-ethylthiophene: it is used to produce other chemicals. For example, it can react with di-tert-butyl dicarbonate to get [3-(2-Chloro-benzoyl)-5-ethyl-thiophen-2-yl]-carbamic acid tert-butyl ester. The reaction occurs with reagent NaH and solvent dimethylformamide. The yield is 64 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(CC)sc1N)c2ccccc2Cl
(2) InChI: InChI=1S/C13H12ClNOS/c1-2-8-7-10(13(15)17-8)12(16)9-5-3-4-6-11(9)14/h3-7H,2,15H2,1H3
(3) InChIKey: RFCCZAHPNNJKKR-UHFFFAOYSA-N