Methyl 3-(4-bromomethyl)cinnamate

• CAS: 946-99-6
• Catalog Number: ACM946996
• Category: Bromine Series
• Molecular Weight: 255.11
• Molecular Formula: C₁₁H₁₁BrO₂
• Synonyms: 4-Bromomethyl cinnamate
• IUPAC Name: Methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
• Canonical SMILES: COC(=O)C=CC1=CC=C(C=C1)CBr
• InChI: InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3/b7-6+
• InChI Key: ZSRCGGBALFGALF-VOTSOKGWSA-N
• Boiling Point: 333.9±22.0 °C
• Melting Point: 62-63 °C
• Flash Point: 155.7ºC
• Density: 1.418±0.06 g/cm³
• EC Number: 619-059-4
• Exact Mass: 253.99424
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Isomeric SMILES: COC(=O)/C=C/C1=CC=C(C=C1)CBr
• Monoisotopic Mass: 253.99424
• Physical State: Solid
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 26.3 Ų

Synthetic Use

Upstream Synthesis Route 1

• 7560-43-2

• 946-99-6

Reference: [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1983, p. 843 - 848

Downstream Synthesis Route 1

• 2466-76-4
• 946-99-6

• 86911-05-9

Reference: [1]Chemical and Pharmaceutical Bulletin,1983,vol. 31,p. 1213 - 1221

Downstream Synthesis Route 2

• 67-56-1
• 946-99-6

• 87087-49-8

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1983,p. 843 - 848

Downstream Synthesis Route 3

• 19213-72-0
• 946-99-6

• 86911-07-1

Reference: [1]Chemical and Pharmaceutical Bulletin,1983,vol. 31,p. 1213 - 1221

* For details of the synthesis route, please refer to the original source to ensure accuracy.