Alpha-methylcinnamic acid

• CAS: 1199-77-5
• Catalog Number: ACM1199775
• Category: Other Products
• Molecular Weight: 162.19
• Molecular Formula: C10H10O2
• Synonyms: 2-Methyl-3-phenyl-2-propenoic acid
• IUPAC Name: (E)-2-Methyl-3-phenylprop-2-enoic acid
• Canonical SMILES: CC(=CC1=CC=CC=C1)C(=O)O
• InChI: InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
• InChI Key: XNCRUNXWPDJHGV-BQYQJAHWSA-N
• Boiling Point: 288 °C
• Melting Point: 79-81 °C(lit.)
• Flash Point: 194.3 °C
• Density: 1.0281 g/cm³
• Appearance: Crystals or crystalline powder
• Storage: Sealed in dry, room temperature
• Complexity: 188
• Exact Mass: 162.068079557
• Isomeric SMILES: C/C(=C\C1=CC=CC=C1)/C(=O)O
• Monoisotopic Mass: 162.068079557
• Physical State: Crystalline powder
• pKa: 4.82±0.10(Predicted)
• Refractive Index: 1.6000
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 37.3 Ų

Synthetic Use

Upstream Synthesis Route 1

• 100-52-7
• 123-62-6

• 1199-77-5

Reference: [1] Medicinal Chemistry Research, 2004, vol. 13, # 8-9, p. 660 - 676

Upstream Synthesis Route 2

• 201230-82-2
• 71001-35-9

• 1199-77-5

Reference: [1] Journal of Organic Chemistry, 2006, vol. 71, # 10, p. 3988 - 3990

Downstream Synthesis Route 1

• 1199-77-5

• 2177-47-1

Reference: [1] Collection of Czechoslovak Chemical Communications, 1983, vol. 48, # 1, p. 60 - 70

Downstream Synthesis Route 2

• 1199-77-5

• 1009-67-2

Reference: [1]Current Patent Assignee: ZHENGZHOU UNIVERSITY - CN111099986, 2020, A
Location in patent: Paragraph 0034; 0061-0064

Downstream Synthesis Route 3

• 1199-77-5

• 2177-47-1

Reference: [1]Collection of Czechoslovak Chemical Communications,1983,vol. 48,p. 60 - 70

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