3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID

This chemical is called Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)-, and its systematic name is 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid. With the molecular formula of C₁₅H₉F₃N₂O₂S, its molecular weight is 338.3. The CAS registry number of this chemical is 104960-56-7. Additionally, its product category is Pyridine.

Other characteristics of the Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 23.16; (6)ACD/BCF (pH 7.4): 2.24; (7)ACD/KOC (pH 5.5): 84.57; (8)ACD/KOC (pH 7.4): 8.19; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.67 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 81.3 cm³; (15)Molar Volume: 219.8 cm³; (16)Polarizability: 32.23×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 1.538 g/cm³; (19)Flash Point: 288.7 °C; (20)Enthalpy of Vaporization: 87.83 kJ/mol; (21)Boiling Point: 553.8 °C at 760 mmHg; (22)Vapour Pressure: 4.24E-13 mmHg at 25°C.

Production method of this chemical: The Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)- could be obtained by the reactant of (3-cyano-6-phenyl-4-trifluoromethyl-pyridin-2-ylsulfanyl)-acetic acid. This reaction needs the reagent of sodium ethanolate, and the solvent of ethanol. The yield is 59 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.

Uses of this chemical: The Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)- could react with acetic acid anhydride to obtain the 6-methyl-4-trifluoromethyl-2-phenylpyrido[2',3':5,4]thieno[3,2-d][1,3]-8-oxazinone. The yield is 71 %. In addition, this reaction should be taken for 1 hour. The other condition is heating.



When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c1cc(nc2sc(c(c12)N)C(=O)O)c3ccccc3
2.InChI: InChI=1/C15H9F3N2O2S/c16-15(17,18)8-6-9(7-4-2-1-3-5-7)20-13-10(8)11(19)12(23-13)14(21)22/h1-6H,19H2,(H,21,22)
3.InChIKey: MKXSKSYKJNXBGH-UHFFFAOYAJ