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CAS No.: | 13754-86-4 |
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Name: | 1,5,6,7-Tetrahydro-4H-indol-4-one |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C8H9NO |
Molecular Weight: | 135.166 |
Synonyms: | Indol-4(5H)-one,6,7-dihydro- (7CI,8CI);1,5,6,7-Tetrahydro-4H-indol-4-one;1,5,6,7-Tetrahydroindol-4-one;4,5,6,7-Tetrahydro-4-indolone;4,5,6,7-Tetrahydro-4-oxoindole;4-Oxo-4,5,6,7-tetrahydroindole;6,7-Dihydro-1H-indol-4(5H)-one;NSC 131681; |
Density: | 1.216 g/cm3 |
Melting Point: | 188-190 °C(lit.) |
Boiling Point: | 310.6 °C at 760 mmHg |
Flash Point: | 149.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 32.86000 |
LogP: | 1.53370 |
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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