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CAS Number: 71205-17-9
(E)-methyl 3-(4-bromophenyl)acrylate

Structure

(E)-methyl 3-(4-bromophenyl)acrylate
Name: (E)-methyl 3-(4-bromophenyl)acrylate
Synonyms:
General Information
Product Number: 71205179
CAS Registry Number: 71205-17-9
Name:
        2-​Propenoic acid, 3-​(4-​bromophenyl)​-​, methyl ester, (2E)​-
        2-​Propenoic acid, 3-​(4-​bromophenyl)​-​, methyl ester, (E)​-; (2E)​-​3-​(4-​Bromophenyl)​-​2-​propenoic acid methyl ester; (E)​-​4-​Bromocinnamic acid methyl ester; Methyl (E)​-​3-​(4-​bromophenyl)​-​2-​propenoate; Methyl (E)​-​3-​(p-​bromophenyl)​-​2-​propenoate; Methyl (E)​-​4-​bromocinnamate; Methyl (E)​-​p-​Bromocinnamate; Methyl trans-​3-​(4-​bromophenyl)​prop-​2-​enoate; trans-​Ethyl 3-​(4-​bromophenyl)​acrylate 
 
Chemical Formula: C10H9BrO2
Exact Mass: 239.98
Molecular Weight: 241.08
m/z: 239.98 (100.0%), 241.98 (97.7%), 240.98 (11.0%), 242.98 (10.7%)
Elemental Analysis: C, 49.82; H, 3.76; Br, 33.14; O, 13.27
 
InChI: InChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+
InChIKey: MFKOGXVHZUSUAF-QPJJXVBHSA-N
Canonical SMILES : COC(=O)C=CC1=CC=C(C=C1)Br
Isomeric SMILES: COC(=O)/C=C/C1=CC=C(C=C1)Br
 
Thermal Properties Value Condition Note
Melting Point 88 °C   (6)CAS
Melting Point 82-84 °C Solv: ethanol (64-17-5) (10)IC
Melting Point 77-83 °C   (5)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Zhang, Zuhui; Journal of Organic Chemistry 2006, V71(11), P4339-4342 CAPLUS
  3. (3) Zhang, Zuhui; Journal of Organic Chemistry 2006, V71(19), P7485-7487 CAPLUS
  4. (4) Ruan, Jiwu; Journal of the American Chemical Society 2008, V130(8), P2424-2425 CAPLUS
  5. (5) El-Batta, Amer; Journal of Organic Chemistry 2007, V72(14), P5244-5259 CAPLUS
  6. (6) Felpin, Francois-Xavier; Chemistry - A European Journal 2010, V16(17), P5191-5204, S5191/1-S5191/13 CAPLUS
  7. (7) Dambacher, Jesse; Tetrahedron Letters 2005, V46(26), P4473-4477 CAPLUS
  8. (8) Chintareddy, Venkat Reddy; Journal of Organic Chemistry 2010, V75(21), P7166-7174 CAPLUS
  9. (9) Lau, Kelvin C. Y.; Tetrahedron 2011, V67(45), P8769-8774 CAPLUS
  10. (10) Plevyak, Joseph E.; Journal of Organic Chemistry 1979, V44(23), P4078-80 CAPLUS
  11. (11) Huo, Congde; Journal of Organic Chemistry 2008, V73(21), P8583-8586 CAPLUS
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