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94977-52-3

94977-52-3 Structure

94977-52-3 Structure
IdentificationMore
[Name]

2,4-DIFLUOROCINNAMIC ACID
[CAS]

94977-52-3
[Synonyms]

2,4-DIFLUOROCINNAMIC ACID
(2E)-3-(2,4-DIFLUOROPHENYL)-2-PROPENOIC ACID
3-(2,4-DIFLUOROPHENYL)-2-PROPENOIC ACID
3-(2,4-DIFLUOROPHENYL)ACRYLIC ACID
RARECHEM BK HW 0121
TRANS-2,4-DIFLUOROCINNAMIC ACID
RANS-2,4-DIFLUOROCINNAMIC ACID
trans-2,4-Difluorocinnamic
trans-2,4-Difluorocinnamic acid 98%
trans-2,4-Difluorocinnamicacid98%
2,4-DIFLUOROCINNAMADEHYDE
[Molecular Formula]

C9H6F2O2
[MDL Number]

MFCD00010317
[Molecular Weight]

184.14
[MOL File]

94977-52-3.mol
Chemical PropertiesBack Directory
[Appearance]

White to pale yellow powder
[Melting point ]

216-218 °C (lit.)
[Boiling point ]

272.0±25.0 °C(Predicted)
[density ]

1.3056 (estimate)
[storage temp. ]

Storage temp. 2-8°C
[form ]

powder to crystal
[pka]

4.29±0.13(Predicted)
[color ]

White to Light yellow
[CAS DataBase Reference]

94977-52-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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

3
[Hazard Note ]

Irritant
[HS Code ]

29163990
Hazard InformationBack Directory
[Chemical Properties]

White to pale yellow powder
[Uses]

trans-2,4-Difluorocinnamic acid may be used in chemical synthesis.
[Synthesis]

2,3-Difluoroaniline

4519-40-8

Sulfamic acid

5329-14-6

Acrylic acid

79-10-7

2,4-DIFLUOROCINNAMIC ACID

94977-52-3

Example 5: Synthesis of (E)-3-(2,4-difluorophenyl)acrylic acid 1. 77.5 g of 2,3-difluoroaniline was slowly added dropwise to a mixture consisting of 124 mL of concentrated hydrochloric acid, sulfuric acid and 472 mL of water at 0 °C. 2. maintaining the reaction temperature at 0 °C, a solution of 48.3 g of sodium nitrite dissolved in 90 mL of water was slowly added dropwise. 3. After the dropwise addition was completed, the reaction mixture was continued to be stirred at 0°C for 30 minutes. 4. sulfamic acid was added to quench the excess nitrite. 5. In a separate vessel, 0.34 g of palladium(II) acetate was added to 54.8 g of acrylic acid and the mixture was heated to 47°C. 6. the diazonium salt solution prepared in step 4 was slowly added dropwise over a period of 2 hours at 47 °C, controlling the reaction temperature to not exceed 49 °C. the reaction was carried out at the same time. 7. after completion of the dropwise addition, the reaction mixture was continued to be stirred at the same temperature for 2 hours. 8. After completion of the reaction, the mixture was cooled to room temperature and the solid product was collected by filtration. 9. The solid product was washed with water and dried. 10. 10. 105.1 g of (E)-3-(2,4-difluorophenyl)acrylic acid was obtained in 95% yield of the theoretical value, with a melting point of 204-205 °C. The reaction was carried out at the same temperature.

[References]

[1] Patent: US2002/115885, 2002, A1
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-DIFLUOROCINNAMIC ACID(94977-52-3)MS
2,4-DIFLUOROCINNAMIC ACID(94977-52-3)1HNMR
2,4-DIFLUOROCINNAMIC ACID(94977-52-3)13CNMR
2,4-DIFLUOROCINNAMIC ACID(94977-52-3)IR1
2,4-DIFLUOROCINNAMIC ACID(94977-52-3)IR2
2,4-DIFLUOROCINNAMIC ACID(94977-52-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2,4-Difluorocinnamic acid, 98%(94977-52-3)
[Alfa Aesar]

trans-2,4-Difluorocinnamic acid, 97%(94977-52-3)
[Sigma Aldrich]

94977-52-3(sigmaaldrich)
[TCI AMERICA]

2,4-Difluorocinnamic Acid,>98.0%(GC)(T)(94977-52-3)
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