alpha-Methylcinnamic acid
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alpha-Methylcinnamic acid
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CAS No:
1199-77-5
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Formula:
C10H10O2
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Chemical Name:
alpha-Methylcinnamic acid
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Synonyms:
2-Methyl-3-phenyl-2-propenoic acid;alpha-Methylcinnamic acid,99%;α-Methylciamic acid;2M3B;alpha-Methylcinnamic acid 99%;(2E)-2-methyl-3-phenylacrylic acid;RARECHEM AL BM 0531;(2E)-2-Methyl-3-phenyl-2-propenoic acid
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CAS No:
Characteristics
37.3
2.2
White to yellow Crystals or Crystalline Powder
1.0281 (rough estimate)
79-81 °C(lit.)
288 °C
194.4±9.6 °C
1.6000 (estimate)
Store below +30°C.
0.00109mmHg at 25°C
4.82±0.10(Predicted)
Sealed in dry,Room Temperature
Safety Information
NONH for all modes of transport
3
22-24/25
Stable under normal temperatures and pressures.
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
alpha-Methylcinnamic acid Use and Manufacturing
General procedure: Appropriate anhydride (300 mmol, 1.6 equiv) was added to potassium carbonate (224 mmol, 1.2 equiv) at 0 °C. After stirring for 5 min to mix up, appropriate aromatic aldehyde (186 mmol, 1.0 equiv) was added. The mixture was heated to reflux for 12 h. After cooling with an ice bath, to the reaction mixture were added water and solid NaA typical Heck reaction was performed in a double walledglass reactor with reflux condenser at ambient pressure. 153 μL (1.34 mmol) alkene (e.g. styrene) and 158 L (1.50 mmol) arylhalide (e.g. iodobenzene) were dissolved in 46 mL organic sol-vent or aqueous microemulsion in the presence of 0.276 g(2.00 mmol) K2CO3as base and stirred at desired reactiontemperature.1.2–1.4 g of the immobilized catalyst containing15 mg (0.067 mmol) Pd(OAc)2on silica was added to the reactionmixture and the reaction was started. For the Heck reaction withhomogeneous catalyst only 15 mg (0.067 mmol) of palladium (II)acetate was added. The reaction progress was monitored by mea-suring the reactant concentrations at different reaction times byhigh performance liquid chromatography (HPLC).A typical Heck reaction was performed in a double walledglass reactor with reflux condenser at ambient pressure. 153 μL (1.34 mmol) alkene (e.g. styrene) and 158 L (1.50 mmol) arylhalide (e.g. iodobenzene) were dissolved in 46 mL organic sol-vent or aqueous microemulsion in the presence of 0.276 g(2.00 mmol) K2CO3as base and stirred at desired reactiontemperature.1.2–1.4 g of the immobilized catalyst containing15 mg (0.067 mmol) Pd(OAc)2on silica was added to the reactionmixture and the reaction was started. For the Heck reaction withhomogeneous catalyst only 15 mg (0.067 mmol) of palladium (II)acetate was added. The reaction progress was monitored by mea-suring the reactant concentrations at different reaction times byhigh performance liquid chromatography (HPLC).
For organic synthesis
Alpha-methylcinnamic acid
Computed Properties
Molecular Weight:162.18
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:188
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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