Products Categories
CAS No.: | 138344-18-0 |
---|---|
Name: | 1-(tert-Butoxycarbonyl)-6-methoxyindole |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C14H17NO3 |
Molecular Weight: | 247.294 |
Synonyms: | tert-Butyl 6-methoxy-1H-indole-1-carboxylate; |
Density: | 1.1 g/cm3 |
Boiling Point: | 357.3 °C at 760 mmHg |
Flash Point: | 169.9 °C |
PSA: | 40.46000 |
LogP: | 3.43310 |
What can I do for you?
Get Best Price
The 1-(tert-Butoxycarbonyl)-6-methoxyindole, with the CAS registry number 138344-18-0, is also known as tert-Butyl 6-methoxy-1H-indole-1-carboxylate. This chemical's molecular formula is C14H17NO3 and molecular weight is 247.29. What's more, its systematic name is tert-Butyl 6-methoxyindole-1-carboxylate.
Physical properties about 1-(tert-Butoxycarbonyl)-6-methoxyindole are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 69.34 cm3; (11)Molar Volume: 223.9 cm3; (12)Polarizability: 27.49×10-24 cm3; (13)Surface Tension: 35.9 dyne/cm; (14)Density: 1.1 g/cm3; (15)Flash Point: 169.9 °C; (16)Enthalpy of Vaporization: 60.27 kJ/mol; (17)Boiling Point: 357.3 °C at 760 mmHg; (18)Vapour Pressure: 2.75E-05 mmHg at 25 °C.
Uses of 1-(tert-Butoxycarbonyl)-6-methoxyindole: it is used to produce other chemicals. For example, it is used to produce 6-Methoxy-indole by heating. The reaction needs reagent 15 percent aq. NaOH and solvent Ethanol. The reaction time is 1 hour. The yield is about 98 %.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)n1ccc2c1cc(cc2)OC
(2) InChI: InChI=1/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-5-6-11(17-4)9-12(10)15/h5-9H,1-4H3
(3) InChIKey: OZWDNKUOSIOAPD-UHFFFAOYAK