6-METHOXY-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE

The 1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-6-methoxy-, with the CAS registry number 20315-68-8, is also known as 6-Methoxy-1,2,3,4-tetrahydro-β-carboline. This chemical's molecular formula is C₁₂H₁₄N₂O and molecular weight is 202.2524. What's more, its systematic name is called 6-Methoxy-2,3,4,9-tetrahydro-1H-β-carboline. Its classification codes are Anticonvulsants; Central Nervous System Agents; Drug/Therapeutic Agent.

Physical properties about 1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-6-methoxy- are: (1)ACD/LogP: 1.25; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.42; (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: 1; (12)Polar Surface Area: 17.4 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 60.72 cm³; (15)Molar Volume: 168.7 cm³; (16)Polarizability: 24.07×10^-24 cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 188.8 °C; (20)Enthalpy of Vaporization: 63.78 kJ/mol; (21)Boiling Point: 388.6 °C at 760 mmHg; (22)Vapour Pressure: 3.03E-06 mmHg at 25 °C; (23)Melting Point: 219-222 °C.

Preparation of 1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-6-methoxy-: this chemical can be prepared by 2-(5-Methoxy-indol-3-yl)-ethylamine and Formaldehyde.

This reaction needs reagent TMSCl. The yield is 95%.

Uses of 1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-6-methoxy-: it is used to produce other chemicals. For example, it is used to produce 2a-[4-(6-Methoxy-1,3,4,9-tetrahydro-b-carbolin-2-yl)-butyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one.

The reaction occurs with reagent K₂CO₃ and solvent Dimethylformamide at temperature of 20 °C. It needs react for 4 days. The yield is 88%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And 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(c3cc1c(nc2c1CCNC2)cc3)C
(2) InChI: InChI=1/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3
(3) InChIKey: QYMDEOQLJUUNOF-UHFFFAOYAW