Cyclopropyl 2-thienyl ketone

The CAS register number of Cyclopropyl 2-thienyl ketone is 6193-47-1. It also can be called as Methanone,cyclopropyl-2-thienyl- and the IUPAC name about this chemical is cyclopropyl(thiophen-2-yl)methanone. The molecular formula about this chemical is C₈H₈OS and molecular weight is 152.21. It belongs to the following product categories which include Cyclopropanes; Simple 3-Membered Ring Compounds; Building Blocks; Heterocyclic Building Blocks; Thiophenes and so on. This chemical is harmful by inhalation or in contact with skin and if swallowed.

Physical properties about Cyclopropyl 2-thienyl ketone are: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.62; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 10.02; (5)ACD/BCF (pH 7.4): 10.02; (6)ACD/KOC (pH 5.5): 181.18; (7)ACD/KOC (pH 7.4): 181.18; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.31Ų; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 41.86 cm³; (13)Molar Volume: 119.7 cm³; (14)Polarizability: 16.59x10^-24cm³; (15)Surface Tension: 52.9 dyne/cm; (16)Enthalpy of Vaporization: 50.33 kJ/mol; (17)Boiling Point: 265.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0092 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-bromo-thiophene and 4-chloro-1-thiophen-2-yl-butan-1-one. This reaction will also produce 2-(3-bromo-2-thienyl)-2-(2-thienyl)tetrahydrofuran. It will need reagent butyllithium and solvent diethyl ether, hexane. The reaction time is 3 hours with reaction temperature of -65 ℃. The yield is about 34%.

Uses of Cyclopropyl 2-thienyl ketone: it can be used to produce cyclopropyl-pyrimidin-5-yl-thiophen-2-yl-methanol with 5-bromo-pyrimidine at temperature of -95 - 20 ℃. This reaction will need reagent n-BuLi and solvent tetrahydrofuran, hexane. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sccc1)C2CC2
(2)InChI: InChI=1/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2
(3)InChIKey: PJDFNFSTSCAKPC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H8OS/c9-8(6-3-4-6)7-2-1-5-10-7/h1-2,5-6H,3-4H2
(5)Std. InChIKey: PJDFNFSTSCAKPC-UHFFFAOYSA-N