1,2,3,4-TETRAHYDRO-QUINOLINE-3-CARBOXYLIC ACID

The 3-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, with the CAS registry number 114527-53-6, is also known as 1,2,3,4-Tetrahydro-quinoline-3-carboxylic acid. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.2. What's more, its systematic name is called 1,2,3,4-Tetrahydroquinoline-3-carboxylic acid.

Physical properties about 3-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)# H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.33 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 47.883 cm³; (13)Molar Volume: 144.545 cm³; (14)Surface Tension: 48.27 dyne/cm; (15)Density: 1.226 g/cm³; (16)Flash Point: 191.237 °C; (17)Enthalpy of Vaporization: 67.749 kJ/mol; (18)Boiling Point: 392.598 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-: this chemical can be prepared by Quinoline-3-carboxylic acid. This reaction needs reagents Raney alloy, 10percent NaOH at temperature of 20 °C. The reaction time is 1 hour. The yield is 78 %.

Uses of 3-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-: it is used to produce other chemicals. For example, it is used to produce 1,2,3,4-Tetrahydro-quinoline-3-carboxylic acid ethyl ester. The reaction occurs with reagents H₂O₂, H₂SO₄ at temperature of 120 °C for 35 min. The yield is 97 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C1Cc2ccccc2NC1
(2) InChI: InChI=1/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6H2,(H,12,13)
(3) InChIKey: INRNDFZVAKDYFY-UHFFFAOYAG