(E)-Methyl 3-(4-bromophenyl)acrylate

The (E)-Methyl 3-(4-bromophenyl)acrylate, with the CAS registry number of 71205-17-9, is also known as Methyl (E)-3-(4-bromophenyl)-2-propenoate. This chemical's molecular formula is C₁₀H₉BrO₂ and molecular weight is 241.08. What's more, its systematic name is Methyl (2E)-3-(4-bromophenyl)prop-2-enoate.

Physical properties about (E)-Methyl 3-(4-bromophenyl)acrylate are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 56.24 cm³; (9)Molar Volume: 166.5 cm³; (10)Polarizability: 22.29×10^-24 cm³; (11)Surface Tension: 42.4 dyne/cm; (12)Density: 1.447 g/cm³; (13)Flash Point: 142.2 °C; (14)Enthalpy of Vaporization: 55.24 kJ/mol; (15)Boiling Point: 311.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000563 mmHg at 25 °C.

Preparation of (E)-Methyl 3-(4-bromophenyl)acrylate: this chemical is prepared by reaction of Methanol with 4-Bromo-trans-cinnamic acid by heating. The reaction needs reagent SOCl₂. The reaction time is 3 hours. The yield is about 96 %.

Uses of (E)-Methyl 3-(4-bromophenyl)acrylate: it is used to produce other chemicals. For example, it is used to produce 3-(4-Bromo-phenyl)-3-chloro-2-(toluene-4-sulfonylamino)-propionic acid methyl ester. This reaction needs two steps, it needs solvents Dichloro-(1, 10-phenanthroline)-palladium (II) and Na₂S₂O₃. Meanwhile, this reaction needs reagents Acetonitrile and H₂O. The reaction time is 22 hours with reaction temperature of 20 °C. The yield is about 77 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(/C=C/C(=O)OC)cc1
(2) InChI: InChI=1/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
(3) InChIKey: MFKOGXVHZUSUAF-QPJJXVBHBF