| Identification | Back Directory | [Name]
allocinnamic acid | [CAS]
102-94-3 | [Synonyms]
Nsc174025
cis-cinnamicaci
allocinnamic acid
(Z)-Cinnamic acid
Cinnamic acid, (Z)-
(2Z)-3-Phenylacrylic acid
3-Phenyl-cis-2-propenoic acid
(Z)-3-Phenyl-2-propenoic acid
1-(4-(trifluoromethyl)benzyl)urea
2-Propenoic acid, 3-phenyl-, (Z)-
2-Propenoic acid, 3-phenyl-, (2Z)- | [Molecular Formula]
C9H8O2 | [MDL Number]
MFCD00466869 | [MOL File]
102-94-3.mol | [Molecular Weight]
148.16 |
| Chemical Properties | Back Directory | [Melting point ]
42°C | [Boiling point ]
208.74°C (rough estimate) | [density ]
1.0061 (rough estimate) | [refractive index ]
1.5049 (estimate) | [pka]
4.34±0.10(Predicted) | [Water Solubility ]
8.45g/L(25 ºC) | [LogP]
2.412 (est) |
| Hazard Information | Back Directory | [Definition]
ChEBI: The Z (cis) isomer of cinnamic acid | [Purification Methods]
The cis-acid is prepared by catalytic reduction of phenylpropiolic acid and after distillation in a high vacuum at ~95o it gives the most stable allo-isomer m 68o. Recrystallisation from pet ether yields Liebermann's iso-cinnamic acid m 58o . When the allo-acid (m 68o) is heated at 20o above its melting point in a sealed capillary for 0.5hours and allowed to cool slowly, Erlenmyer's iso-cinnamic acid m 4 2o is formed. This form can also be obtained in larger amounts by heating the allo-acid at 80o for 3hours, and on cooling it remains liquid for several weeks but gives the m 42o acid on innoculation with the crystals from the capillary tube. This form is unchanged in 6 weeks when kept in a dark cupboard. All three forms have the same pK values and the same rate of bromination. There is also a very labile form with m 32o. [Liebermann, Chem Ber 26 1572 1893, Claisen & Crismer Justus Liebigs Ann Chem 218 135 1883, Robinson & James J Chem Soc 1453 1933, Berthoud & Urech Helv Chim Acta 13 437 1930, McCoy & McCoy J Org Chem 33 2354 1968, Beilstein 9 IV 2001.] |
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