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Cas Database |
| Name |
alpha-Methylcinnamic acid |
EINECS | 214-847-0 |
| CAS No. | 1199-77-5 | Density | 1.147 g/cm3 |
| PSA | 37.30000 | LogP | 2.17450 |
| Solubility | N/A | Melting Point |
79-81 °C |
| Formula | C10H10O2 | Boiling Point | 288.3 °C at 760 mmHg |
| Molecular Weight | 162.188 | Flash Point | 194.3 °C |
| Transport Information | N/A | Appearance | white crystal |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cinnamicacid, a-methyl- (7CI,8CI);2-Methyl-3-phenyl-2-propenoic acid;NSC 401113; |
Article Data | 51 |
alpha-Methylcinnamic acid Synthetic route
- 87995-30-0
C17H16O2
- 108-88-3
toluene
A
- 620-47-3
1-methyl-3-(phenylmethyl)-benzene
B
- 620-83-7
1-methyl-4-(phenylmethyl)benzene
C
- 713-36-0
2-benzyltoluene
D
- 1199-77-5
α-methylcinnamic acid
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction; | A n/a B n/a C n/a D 98% |
- 21370-57-0, 22946-43-6, 25692-59-5
methyl 2-methyl-3-phenylacrylate
- 1199-77-5
α-methylcinnamic acid
| Conditions | Yield |
|---|---|
| With methanol; potassium hydroxide at 20℃; for 0.5h; | 95% |
| With potassium hydroxide In methanol at 20℃; for 0.5h; |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In water; acetonitrile at 45℃; for 12h; chemoselective reaction; | 87% |
| With ethanol; silver(l) oxide |
| Conditions | Yield |
|---|---|
| With potassium carbonate at 140℃; | 83% |
| With sodium acetate Perkin reaction; Heating; | 61.24% |
| Stage #1: propionic acid anhydride With potassium carbonate at 0℃; for 0.0833333h; Perkin Carboxylic Acid Synthesis; Stage #2: benzaldehyde at 160 - 180℃; for 12h; Perkin Carboxylic Acid Synthesis; | 40% |
| With sodium proprionate at 180℃; | |
| With sodium acetate at 130 - 135℃; |
- 15174-47-7
α-methyl-trans-cinnamaldehyde
A
- 1199-77-5
α-methylcinnamic acid
B
- 1009-67-2, 5628-72-8, 14367-54-5, 14367-67-0
2-methyl-3-phenylpropionic acid
| Conditions | Yield |
|---|---|
| With aldehyde dehydrogenase from E.coli; ene-reductase from Saccharomyces cerevisiae; NADH In aq. phosphate buffer at 30℃; for 1h; pH=7; Time; Enzymatic reaction; chemoselective reaction; | A 5% B 83% |
| Conditions | Yield |
|---|---|
| With [bmim]PF6; triethylamine; bis-triphenylphosphine-palladium(II) chloride In water at 100℃; under 15001.2 Torr; for 10h; | 64% |
| Conditions | Yield |
|---|---|
| With potassium carbonate at 80℃; Heck Reaction; Micellar solution; | 64% |
| Conditions | Yield |
|---|---|
| With potassium carbonate at 80℃; Heck Reaction; Micellar solution; | 62% |
- 2327-99-3
1-phenylpropadiene
- 124-38-9
carbon dioxide
A
- 30953-25-4
2-phenyl-3-butenoic acid
B
- 2243-53-0
styrylacetic acid
C
- 1199-77-5
α-methylcinnamic acid
| Conditions | Yield |
|---|---|
| Stage #1: 1-phenylpropadiene; carbon dioxide With [Pd(OSO2CF3)(CH3Si(C6H4P(C6H5)2)2)]; diethylzinc In hexane; N,N-dimethyl-formamide at 60℃; for 8h; Stage #2: With hydrogenchloride In hexane; water; N,N-dimethyl-formamide | A 54% B 2% C 7% |
- 91358-54-2
methyl 2-iodo-2-methyl-3-phenylpropanoate
- 1199-77-5
α-methylcinnamic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 3h; Heating; | 48% |
| With Alkali Product distribution; |
alpha-Methylcinnamic acid Chemical Properties
Molecular structure of alpha-Methylcinnamic acid (CAS NO.1199-77-5) is:
Product Name: alpha-Methylcinnamic acid
CAS Registry Number: 1199-77-5
IUPAC Name: (E)-2-methyl-3-phenylprop-2-enoic acid
Molecular Weight: 162.1852 [g/mol]
Molecular Formula: C10H10O2
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 2
EINECS: 214-847-0
Melting Point: 79-81 °C(lit.)
Surface Tension: 45.9 dyne/cm
Density: 1.147 g/cm3
Flash Point: 194.3 °C
Enthalpy of Vaporization: 55.71 kJ/mol
Boiling Point: 288.3 °C at 760 mmHg
Vapour Pressure: 0.00109 mmHg at 25°C
Product Categories: Cinnamic acid;C10;Carbonyl Compounds;Carboxylic Acids
alpha-Methylcinnamic acid Safety Profile
Safty information about alpha-Methylcinnamic acid (CAS NO.1199-77-5) is:
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
HS Code: 29163900
alpha-Methylcinnamic acid Specification
alpha-Methylcinnamic acid , its cas register number is 1199-77-5. It also can be called 2-Propenoic acid,2-methyl-3-phenyl- ; 2-Methyl-3-phenylacrylic acid .It is a white to yellowish crystals or crystalline powder.
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