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α-Methylcinnamic acid

α-Methylcinnamic acid structure

CAS No:
1199-77-5
Formula:
C10H10O2
Chemical Name:
α-Methylcinnamic acid
Synonyms:
2-Propenoic acid,2-methyl-3-phenyl-;Cinnamic acid,α-methyl-;2-Methyl-3-phenyl-2-propenoic acid;α-Methylcinnamic acid;NSC 401113;3-Phenyl-2-methyl-2-propenoic acid;2-Methyl-3-phenylacrylicacid
Categories:
Food Additives > Food Antioxidants

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α-Methylcinnamic acid Basic Attributes

Molecular Weight：

162.19

Exact Mass：

162.19

BRN：

2042544

EC Number：

214-847-0

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.2

Appearance：

White to yellow Crystals or Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

79-81 °C

Boiling Point：

225-230 °C @ Press: 0.2 Torr

Flash Point：

194.4±9.6 °C

Refractive Index：

1.597

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.00109mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

α-Methylcinnamic acid Use and Manufacturing

Methods of 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).

Uses

For organic synthesis

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

Synthesis Route

201230-82-2

71001-35-9

2327-99-3

30953-25-4

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