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

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Name

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

EINECS N/A
CAS No. 71205-17-9 Density 1.447 g/cm3
PSA 26.30000 LogP 2.63530
Solubility N/A Melting Point 84-86 °C
Formula C10H9BrO2 Boiling Point 311.4 °C at 760 mmHg
Molecular Weight 241.084 Flash Point 142.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71205-17-9 ((E)-Methyl 3-(4-bromophenyl)acrylate) Hazard Symbols N/A
Synonyms

Methyl (E)-3-(4-bromophenyl)-2-propenoate;

Article Data 97

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

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 %.

The (E)-Methyl 3-(4-bromophenyl)acrylate can be obtained by Methanol and 4-Bromo-trans-cinnamic acid.

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 %.

(E)-Methyl 3-(4-bromophenyl)acrylate can be used to produce 3-(4-Bromo-phenyl)-3-chloro-2-(toluene-4-sulfonylamino)-propionic acid methyl ester.

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

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