2-(4-METHOXYBENZOYL)THIOPHENE

The Methanone,(4-methoxyphenyl)-2-thienyl-, with the CAS registry number 4160-63-8, is also known as p-Anisyl thiophen-2-yl ketone. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Thiophenes. Its EINECS registry number is 223-997-6. This chemical's molecular formula is C₁₂H₁₀O₂S and molecular weight is 218.27. Its IUPAC name is called (4-methoxyphenyl)-thiophen-2-ylmethanone. This chemical is white to brownish fluffy crystalline powder. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes. The product should be sealed and stored in dry, well-ventilated place.

Physical properties of Methanone,(4-methoxyphenyl)-2-thienyl-: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 2.91; (3)ACD/LogD (pH 7.4): 2.91; (4)ACD/BCF (pH 5.5): 95.8; (5)ACD/BCF (pH 7.4): 95.8; (6)ACD/KOC (pH 5.5): 911.76; (7)ACD/KOC (pH 7.4): 911.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 61.1 cm³; (12)Molar Volume: 181 cm³; (13)Surface Tension: 44.1 dyne/cm; (14)Density: 1.205 g/cm³; (15)Flash Point: 170 °C; (16)Enthalpy of Vaporization: 60.29 kJ/mol; (17)Boiling Point: 357.5 °C at 760 mmHg; (18)Vapour Pressure: 2.71E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methoxy-benzoic acid and thiophene. This reaction will need reagent TFOP/TFA. The reaction time is 4 hours. The yield is about 93%.

Uses of Methanone,(4-methoxyphenyl)-2-thienyl-: it can be used to produce (4-Methoxy-phenyl)-[2]thienyl-methanol at ambient temperature. This reaction will need reagent NaBH₄ and solvent tetrahydrofuran. The yield is about 100%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CS2
(2)InChI: InChI=1S/C12H10O2S/c1-14-10-6-4-9(5-7-10)12(13)11-3-2-8-15-11/h2-8H,1H3
(3)InChIKey: KYVBFEMQEUXVQB-UHFFFAOYSA-N