3-Formyl-6-isopropylchromone

The 3-Formyl-6-isopropylchromone, with the CAS registry number 49619-58-1, is also known as 6-Isopropylchromone-3-carboxaldehyde. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C₁₃H₁₂O₃ and molecular weight is 216.23. What's more, its systematic name is 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides, heat and fire.

Physical properties of 3-Formyl-6-isopropylchromone are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 60.55 cm³; (9)Molar Volume: 171.7 cm³; (10)Surface Tension: 54.7 dyne/cm; (11)Density: 1.259 g/cm³; (12)Flash Point: 150.2 °C; (13)Enthalpy of Vaporization: 58.33 kJ/mol; (14)Boiling Point: 339.8 °C at 760 mmHg; (15)Vapour Pressure: 8.96E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N-dimethyl-formamide, 6-Hydroxy-3-isopropyl-acetophenon at the temperature of 50 °C. This reaction will need reagent POCl₃. It's Vilsmeier-Haack reaction. The yield is about 50%.

Uses of 3-Formyl-6-isopropylchromone: it can be used to produce 1-[3-(6-isopropyl-4-oxo-4H-1-benzopyran)methylene]-4-hydroxysemicarbazide by heating. It will need solvent methanol with the reaction time of 24 hours. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c2c(O/C=C/1C=O)ccc(c2)C(C)C
(2)InChI: InChI=1S/C13H12O3/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-8H,1-2H3
(3)InChIKey: FRRYMYQANNFABF-UHFFFAOYSA-N