Isoquinoline,1,2,3,4-tetrahydro-7-methoxy- (43207-78-9)

The 1,2,3,4-Tetrahydro-7-methoxyisoquinoline, with the CAS registry number 43207-78-9, has the systematic name and IUPAC name of 7-methoxy-1,2,3,4-tetrahydroisoquinoline. It belongs to the category of Chiral Chemicals. And the molecular formula of the chemical is C₁₀H₁₃NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.59; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 21.26 Å²; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 48.454 cm³; (13)Molar Volume: 156.298 cm³; (14)Polarizability: 19.209×10^-24cm³; (15)Surface Tension: 36.048 dyne/cm; (16)Density: 1.044 g/cm³; (17)Flash Point: 109.208 °C; (18)Enthalpy of Vaporization: 52.255 kJ/mol; (19)Boiling Point: 283.615 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation of 1,2,3,4-Tetrahydro-7-methoxyisoquinoline: This chemical can be prepared by 2-formyl-1,2,3,4-tetrahydro-7-methoxyisoquinoline. The reaction will need reagent 10% and aq. NaOH, and the menstruum ethanol. And the yield is about 16%. 

Uses of 1,2,3,4-Tetrahydro-7-methoxyisoquinoline: It can be used to produce C₂₀H₂₅N₃O₆S₂. This reaction will need reagent imidodisulfuryl chloride and Et₃N, and the menstruum acetonitrile and CH₂Cl₂. The reaction time is 12 hours with temperature of 25°C, and the yield is about 56%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc2c(c1)CNCC2
(2)InChI: InChI=1/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
(3)InChIKey: BPSLFSXCUJYFIR-UHFFFAOYAX