6,7-Dimethoxyisoquinoline-1-carbaldehyde

The 6,7-Dimethoxyisoquinoline-1-carbaldehyde, with the CAS registry number 71046-35-0, is also known as 6,7-Dimethoxy-isoquinoline-1-carbaldehyde. This chemical's molecular formula is C₁₂H₁₁NO₃ and molecular weight is 217.22. What's more, its systematic name is called 6,7-Dimethoxy-1-isoquinolinecarbaldehyde.

Physical properties about 6,7-Dimethoxyisoquinoline-1-carbaldehyde are: (1)ACD/LogP: 1.074; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.84; (6)ACD/BCF (pH 7.4): 3.85; (7)ACD/KOC (pH 5.5): 91.15; (8)ACD/KOC (pH 7.4): 91.41; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.624; (14) Molar Refractivity: 62.297 cm³; (15)Molar Volume: 176.444 cm³; (16)Polarizability: 24.696×10^-24cm³; (17)Surface Tension: 47.681 dyne/cm; (18)Density: 1.231 g/cm³; (19)Flash Point: 177.199 °C; (20)Enthalpy of Vaporization: 61.616 kJ/mol; (21)Boiling Point: 369.386 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 6,7-Dimethoxyisoquinoline-1-carbaldehyde: this chemical can be prepared by 6,7-dimethoxy-1-methyl-isoquinoline. The reaction occurs with reagent selenium dioxide, solvent dioxane and other condition of heating for 2 hours. The yield is 71 %.

Uses of 6,7-Dimethoxyisoquinoline-1-carbaldehyde: it is used to produce other chemicals. For example, it can produce 6,7-dimethoxy-isoquinoline-1-carbaldehyde-oxime. This reaction needs reagent NH₂OH. The yield is 50 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2nccc1cc(OC)c(OC)cc12
(2) InChI: InChI=1S/C12H11NO3/c1-15-11-5-8-3-4-13-10(7-14)9(8)6-12(11)16-2/h3-7H,1-2H3
(3) InChIKey: UHZKUBULBNDNTD-UHFFFAOYSA-N