4-METHOXYCINNAMOYL CHLORIDE

The 2-Propenoyl chloride,3-(4-methoxyphenyl)-, with the CAS registry number of 34446-64-5, is also known as 4-Methoxycinnamoyl chloride and (E)-3-(4-Methoxy-phenyl)-acryloyl chloride. This chemical's molecular formula is C₁₀H₉ClO₂ and molecular weight is 196.63.

Physical properties about are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 142; (6)ACD/BCF (pH 7.4): 142; (7)ACD/KOC (pH 5.5): 1209; (8)ACD/KOC (pH 7.4): 1209; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 53.7 cm³; (15)Molar Volume: 162.916 cm³; (16)Surface Tension: 40.273 dyne/cm; (17)Density: 1.207 g/cm³; (18)Flash Point: 117.857 °C; (19)Enthalpy of Vaporization: 55.86 kJ/mol; (20)Boiling Point: 317.207 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 2-Propenoyl chloride,3-(4-methoxyphenyl)-: this chemical is prepared by reaction of Oxalyl dichloride with 3t-(4-Methoxy-phenyl)-acrylic acid at ambient temperature. The reaction needs solvent Toluene. The reaction time is 20 hours. The yield is about 95 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-(p-Methoxy-trans-cinnamoyl)-imidazol at ambient temperature. The reaction needs reagent Et₃N and solvent Tetrahydrofuran. The reaction time is 1 hour. The yield is about 80 %.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)\C=C\c1ccc(OC)cc1
(2) InChI: InChI=1/C10H9ClO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3/b7-4+
(3) InChIKey: CGOJOQBYEAVATL-QPJJXVBHBC