4-PHENYL-4-PIPERIDINECARBOXYLIC ACID 4-METHYL-BENZENESULFONATE

The 4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid, with the CAS registry number 83949-32-0, is also known as 4-Phenyl-4-piperidinecarboxylic acid 4-methyl-benzenesulfonate. Its EINECS registry number is 281-391-7. This chemical's molecular formula is C₁₉H₂₃NO₅S and molecular weight is 377.45. What's more, its systematic name is called 4-Phenylpiperidine-4-carboxylic acid 4-methylbenzenesulfonate. This chemical is off-white to slightly beige crystalline powder. And it should be kept in a cold and dry place.

Physical properties about 4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid are: (1) ACD/LogP: 1.49; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.01; (4) ACD/LogD (pH 7.4): -1.01; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.54 Å²; (13) Flash Point: 180.5 °C; (14) Enthalpy of Vaporization: 65.66 kJ/mol; (15) Boiling Point: 374.9 °C at 760 mmHg; (16) Vapour Pressure: 2.75E-06 mmHg at 25 °C; (17) Melting Point: 225-229 °C.

Uses of 4-Phenyl-2,3,5,6-tetrahydropyridine-4-carboxylate: it is used to produce other chemicals. For example, it is used to produce 4-Phenyl-piperidine-4-carboxylic acid methyl ester.

The reaction occurs with reagent H₂SO₄ and other condition of heating for 8 hours. The yield is 92 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed and may cause damage to health. Therefore, you should wear suitable protective gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C2(c1ccccc1)CCNCC2.O=S(=O)(O)c1ccc(cc1)C
(2) InChI: InChI=1/C12H15NO2.C7H8O3S/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,13H,6-9H2,(H,14,15);2-5H,1H3,(H,8,9,10)
(3) InChIKey: NQLZTDKDXBKUGY-UHFFFAOYAB