ChemicalBook--->CAS DataBase List--->1201-99-6

1201-99-6

1201-99-6 Structure

1201-99-6 Structure
IdentificationMore
[Name]

TRANS-2,4-DICHLOROCINNAMIC ACID
[CAS]

1201-99-6
[Synonyms]

2,4-DICHLOROCINNAMIC ACID
(2E)-3-(2,4-DICHLOROPHENYL)ACRYLIC ACID
AKOS BBS-00006981
OTAVA-BB BB7020400356
RARECHEM BK HW 0011
TRANS-2,4-DICHLOROCINNAMIC ACID
2,4-dichloro-cinnamicaci
3-(2,4-dichlorophenyl)-2-propenoicaci
3-(2,4-dichlorophenyl)-2-propenoicacid
3-(2,4-Dichlorophenyl)propenoic acid
[EINECS(EC#)]

214-860-1
[Molecular Formula]

C9H6Cl2O2
[MDL Number]

MFCD00004373
[Molecular Weight]

217.05
[MOL File]

1201-99-6.mol
Chemical PropertiesBack Directory
[Melting point ]

233-235 °C(lit.)
[Boiling point ]

359.4±27.0 °C(Predicted)
[density ]

1.3944 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.17±0.13(Predicted)
[Appearance]

White to off-white Solid
[CAS DataBase Reference]

1201-99-6(CAS DataBase Reference)
[EPA Substance Registry System]

2-Propenoic acid, 3-(2,4-dichlorophenyl)- (1201-99-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazardous Substances Data]

1201-99-6(Hazardous Substances Data)
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-2,4-DICHLOROCINNAMIC ACID(1201-99-6)MS
TRANS-2,4-DICHLOROCINNAMIC ACID(1201-99-6)1HNMR
TRANS-2,4-DICHLOROCINNAMIC ACID(1201-99-6)IR1
TRANS-2,4-DICHLOROCINNAMIC ACID(1201-99-6)IR2
Hazard InformationBack Directory
[Synthesis]

(E)-2,4-Dichloro-2'-hydroxychalcone

145626-26-2

TRANS-2,4-DICHLOROCINNAMIC ACID

1201-99-6

To a 5 mL round-bottomed flask equipped with a stirrer, trans-2'-hydroxychalcone (1a, 1 mmol), potassium carbonate (K2CO3, 1.38 g, 10 mmol), 35% hydrogen peroxide solution (H2O2, 0.5 mL) and acetonitrile (2 mL) were added. The reaction mixture was stirred at room temperature and the progress of the reaction was monitored by thin layer chromatography (TLC) until the complete disappearance of the ingredients. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. A 1 mol/L hydrochloric acid solution was added to the residue and the resulting solid was collected by filtration to afford the target product 2,4-dichlorostyrene acid (2a) as a white solid (133 mg, 90% yield). The structure of the product was confirmed by NMR hydrogen (1H NMR, 300 MHz, DMSO-d6) and NMR carbon (13C NMR, 300 MHz, DMSO-d6) spectra: 1H NMR (DMSO-d6) δ 7.58 (d, 1H, J = 16 Hz), 7.42-7.69 (m, 5H), 6.53 (d, 1H, J = 16 Hz); 13C NMR (DMSO-d6) δ 167.7, 144.0, 134.3, 130.3, 128.9, 128.2, 119.3.

[References]

[1] Journal of the Brazilian Chemical Society, 2013, vol. 24, # 3, p. 518 - 522
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