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| CAS No.: | 1552-96-1 |
|---|---|
| Name: | 4-(Dimethylamino)cinnamic acid |
| Article Data: | 48 |
| Molecular Structure: | |
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| Formula: | C11H13NO2 |
| Molecular Weight: | 191.23 |
| Synonyms: | Cinnamicacid, p-(dimethylamino)- (6CI,7CI,8CI);3-(4-Dimethylaminophenyl)acrylic acid;4-(Dimethylamino)cinnamic acid;NSC 13673;NSC 638140;p-(Dimethylamino)cinnamic acid; |
| EINECS: | 216-299-8 |
| Density: | 1.173 g/cm3 |
| Melting Point: | 227-228 °C (dec.)(lit.) |
| Boiling Point: | 360.3 °C at 760 mmHg |
| Flash Point: | 171.7 °C |
| Appearance: | Yellow to beige crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 40.54000 |
| LogP: | 1.85040 |
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Specification
The 2-Propenoic acid,3-[4-(dimethylamino)phenyl]- is an organic compound with the formula C11H13NO2. The IUPAC name of this chemical is (E)-3-(4-Dimethylaminophenyl)prop-2-enoic acid. With the CAS registry number 1552-96-1, it is also named as 4-(Dimethylamino)cinnamic acid. The product's categories are Aromatic Cinnamic Acids, Esters and Derivatives; Cinnamic acid; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives. Besides, it is Yellow to beige crystalline powder.
Physical properties about 2-Propenoic acid,3-[4-(dimethylamino)phenyl]- are: (1)ACD/LogP: 2.92; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 0.42; (4)ACD/BCF (pH 5.5): 10.75; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 101.81; (7)ACD/KOC (pH 7.4): 2.9; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 58.02 cm3; (14)Molar Volume: 163 cm3; (15)Polarizability: 23×10-24 cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.173 g/cm3; (18)Flash Point: 171.7 °C; (19)Enthalpy of Vaporization: 63.94 kJ/mol; (20)Boiling Point: 360.3 °C at 760 mmHg; (21)Vapour Pressure: 8.08E-06 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-Dimethylamino-benzaldehyde. This reaction is a kind of knoevenagel condensation. This reaction will need catalyst expansive graphite and solvent ethyl acetate. The reaction time is 9 hours with reaction temperature of 43 °C. The yield is about 85%.
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Uses of 2-Propenoic acid,3-[4-(dimethylamino)phenyl]-: it can be used to produce 4-Dimethylamino-cinnamic acid methyl ester. It will need solvents diethyl ether; ethanol; H2O with reaction time of 1 hour. The yield is about 100%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H13NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)/b8-5+
(2)InChIKey: CQNPVMCASGWEHM-VMPITWQZBK
(3)Std. InChI: InChI=1S/C11H13NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)/b8-5+
(4)Std. InChIKey: CQNPVMCASGWEHM-VMPITWQZSA-N