1,5,6,7-Tetrahydro-4H-indol-4-one

The 1,5,6,7-Tetrahydro-4H-indol-4-one is an organic compound with the formula C₈H₉NO. The IUPAC name of this chemical is 1,5,6,7-tetrahydroindol-4-one. With the CAS registry number 13754-86-4, it is also named as 1,5,6,7-Tetrahydro-4-indolone. The product's categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles.

Physical properties about 1,5,6,7-Tetrahydro-4H-indol-4-one are: (1)ACD/LogP: 1.14; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)Polar Surface Area: 22 Å²; (5)Index of Refraction: 1.592; (6)Molar Refractivity: 37.6 cm³; (7)Molar Volume: 111 cm³; (8)Polarizability: 14.9×10^-24cm³; (9)Surface Tension: 52.5 dyne/cm; (10)Density: 1.216 g/cm³; (11)Flash Point: 149.6 °C; (12)Enthalpy of Vaporization: 55.15 kJ/mol; (13)Boiling Point: 310.6 °C at 760 mmHg; (14)Vapour Pressure: 0.000593 mmHg at 25°C.

Preparation: this chemical can be prepared by 6,7-dihydro-5H-benzofuran-4-one. This reaction will need reagent 29 percent aq. NH₃ and solvent ethanol. The reaction time is 12 hours with reaction temperature of 150 °C. The yield is about 96%.

Uses of 1,5,6,7-Tetrahydro-4H-indol-4-one: it can be used to produce 4,5,6,7-tetrahydro-indole by heating. It will need reagent sodium borohydride and solvent propan-2-ol with reaction time of 17 hours. The yield is about 45%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(ncc1)CCC2
(2)InChI: InChI=1/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2
(3)InChIKey: KASJZXHXXNEULX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2
(5)Std. InChIKey: KASJZXHXXNEULX-UHFFFAOYSA-N