ChemicalBook--->CAS DataBase List--->49713-56-6

49713-56-6

49713-56-6 Structure

49713-56-6 Structure
IdentificationMore
[Name]

4-Chloro-6-(trifluoromethyl)quinoline
[CAS]

49713-56-6
[Synonyms]

4-CHLORO-6-(TRIFLUOROMETHYL)QUINOLINE
BUTTPARK 14\01-63
4-Chloro-6-(trifluoromethyl)quinoline 98%
4-Chloro-6-(trifluoromethyl)quinoline98%
[Molecular Formula]

C10H5ClF3N
[MDL Number]

MFCD00153106
[Molecular Weight]

231.6
[MOL File]

49713-56-6.mol
Chemical PropertiesBack Directory
[Melting point ]

48°C
[Boiling point ]

265.5±35.0 °C(Predicted)
[density ]

1.427±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

2.45±0.16(Predicted)
[Appearance]

Pale purple to purple Solid
[InChI]

InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H
[InChIKey]

FTNQANJWBFKPIP-UHFFFAOYSA-N
[SMILES]

N1C2C(=CC(C(F)(F)F)=CC=2)C(Cl)=CC=1
[CAS DataBase Reference]

49713-56-6(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933499090
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-6-(trifluoromethyl)quinoline(49713-56-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Chloro-6-(trifluoromethyl)quinoline(49713-56-6)
Hazard InformationBack Directory
[Synthesis]

6-(TRIFLUOROMETHYL)QUINOLIN-4-OL

49713-51-1

4-Chloro-6-(trifluoromethyl)quinoline

49713-56-6

4-Hydroxy-6-trifluoromethylquinoline (50 mg, 0.2 mmol) was used as starting material and synthesized with reference to the method reported in Bioorganic & Medicinal Chemistry Letters, 2005, 15(4), 1015-1018. The raw material was added to phosphorus trichloride (108 mg, 0.7 mmol). After the addition was completed, the reaction mixture was heated to 90 °C and stirred continuously for 2 hours. Upon completion of the reaction, the pH was adjusted to 8-9 by slow dropwise addition of saturated sodium bicarbonate solution.Subsequently, extraction was carried out with ethyl acetate (30 mL x 3). The organic phases were combined and concentrated under reduced pressure to afford the target product 4-chloro-6-(trifluoromethyl)quinoline (60 mg, colorless oil), which could be used directly in the subsequent reaction without further purification.

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 4, p. 1015 - 1018
[2] Patent: KR2016/6207, 2016, A. Location in patent: Paragraph 0188; 0191-0194
[3] Patent: US2016/108035, 2016, A1. Location in patent: Paragraph 0136-0137
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