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Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)-

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Name

Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)-

EINECS N/A
CAS No. 104960-56-7 Density 1.538 g/cm3
PSA 104.45000 LogP 4.84370
Solubility N/A Melting Point 159 °C
Formula C15H9F3N2O2S Boiling Point 553.8 °C at 760 mmHg
Molecular Weight 338.31 Flash Point 288.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 104960-56-7 (3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

RARECHEM AL BO 0930;3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID;AKOS BBS-00000407;AKOS USSH-4110658

Article Data 2

Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-6-phenyl-4-(trifluoromethyl)- Specification

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.

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

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.

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

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

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