What is the function of Valerophenone CAS: 1009-14-9?

Valerophenone CAS: 1009-14-9 can be used as organic synthesis intermediate and pharmaceutical intermediate, which can be used in laboratory research and development process and chemical and pharmaceutical synthesis process. Valerophenone CAS: 1009-14-9 is an organic intermediate, which can be prepared from benzene and n-valeryl chloride through Friedel-Crafts reaction, or from methyl benzoate through Grignard reaction.

• What are the computational chemistry data for Valerophenone CAS: 1009-14-9?

• Is Valerophenone CAS: 1009-14-9 and phenylfluorenone the same substance, and how to distinguish them?

• How is Valerophenone CAS: 1009-14-9 synthesized?

• How to distinguish between Valerophenone CAS: 1009-14-9 and isopropyl alcohol?

What are the computational chemistry data for Valerophenone CAS: 1009-14-9?

1. Hydrophobic parameter calculation reference value (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 2

6. Topological molecular polar surface area: 17.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 134

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of bond stereocenters: 0

15. Number of covalent bond units: 1

Is Valerophenone CAS: 1009-14-9 and phenylfluorenone the same substance, and how to distinguish them?

1. add water- will be layered: benzaldehyde (slightly soluble)

2. add na, there is benzyl alcohol that produces bubbles

3. adding bromine can make it add and fade, you can identify 2-pentanone and 2,4-pentanedione.

The special properties of 2,4-pentanedione have enol interconversion, one carbonyl changes to enol and forms hydrogen bond with another carbonyl,

In this way, a six-membered ring with a conjugated structure is formed, which is very stable, so it exists in an enol form and has the properties of an alkene.

How is Valerophenone CAS: 1009-14-9 synthesized?

At room temperature, add 16.2g (0.1mol) of Valerophenone CAS: 1009-14-9 and 30.9g (0.3mol) of sodium bromide to a 500mL round-bottomed flask, stir evenly, add 24g (0.2mol) of 30% hydrochloric acid, and slowly drop Add 19 g (0.15 mol) of 30% hydrogen peroxide, add dropwise, and continue to react for 1 to 2 hours. After the reaction is monitored by TLC, stop stirring, let stand for stratification, wash with saturated sodium carbonate and saturated brine respectively, and combine them. The organic phase was concentrated and dried over anhydrous magnesium sulfate to obtain 2-bromo-1-phenyl-1-pentanone, a bright yellow oily liquid with a yield of 95% and a purity of 98% (HPLC method).

How to distinguish between Valerophenone CAS: 1009-14-9 and isopropyl alcohol?

1. Add a small amount of sodium metal, and it is isopropyl alcohol that bubbles. The rest do not respond.

2. When 1-phenylacetone is added to dilute potassium permanganate solution, the color disappears, but Valerophenone CAS: 1009-14-9 does not react.

(The former generates benzoic acid; the latter color remains unchanged)

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