Cyclopropyl 4-methoxyphenyl ketone

The Cyclopropyl 4-methoxyphenyl ketone is an organic compound with the formula C₁₁H₁₂O₂. The IUPAC name of this chemical is cyclopropyl-(4-methoxyphenyl)methanone. With the CAS registry number 7152-03-6, it is also named as Methanone, cyclopropyl(4-methoxyphenyl)-. The product's categories are Miscellaneous; C11 to C12; Carbonyl Compounds; Ketones. Besides, it is a light yellow to light brown crystalline solid, which should be stored in a cool, dry place.

Physical properties about Cyclopropyl 4-methoxyphenyl ketone are: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.11; (3)ACD/LogD (pH 7.4): 2.11; (4)ACD/BCF (pH 5.5): 23.5; (5)ACD/BCF (pH 7.4): 23.5; (6)ACD/KOC (pH 5.5): 333.48; (7)ACD/KOC (pH 7.4): 333.48; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 50.15 cm³; (13)Molar Volume: 154.2 cm³; (14)Polarizability: 19.88×10^-24cm³; (15)Surface Tension: 43.6 dyne/cm; (16)Density: 1.142 g/cm³; (17)Flash Point: 140 °C; (18)Enthalpy of Vaporization: 54.43 kJ/mol; (19)Boiling Point: 303.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000903 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-chloro-4'-methoxybutyrophenone. This reaction will need reagent KOH and solvent methanol. The reaction time is 12 hours with reaction at ambient temperature. The yield is about 95%.

Uses of Cyclopropyl 4-methoxyphenyl ketone: it can be used to produce cyclopropyl-(4-methoxy-phenyl)-pyrimidin-5-yl-methanol at temperature of -95 - 20 °C. It will need reagent n-BuLi and solvent tetrahydrofuran, hexane. The yield is about 43%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1)C2CC2
(2)InChI: InChI=1/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3
(3)InChIKey: YKZSVEVTRUSPOQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H12O2/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8H,2-3H2,1H3
(5)Std. InChIKey: YKZSVEVTRUSPOQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 500mg/kg (500mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS	National Technical Information Service. Vol. OTS0543088,