ChemicalBook--->CAS DataBase List--->39065-95-7

39065-95-7

39065-95-7 Structure

39065-95-7 Structure
IdentificationBack Directory
[Name]

4-(CHLORO-DIFLUORO-METHOXY)-PHENYLAMINE
[CAS]

39065-95-7
[Synonyms]

EOS-60713
TIMTEC-BB SBB000319
4-(CHLORODIFLUOROMETHOXY)ANILINE
4-(Chlorodifluoromethoxy)aniline95%
4-(Chlorodifluoromethoxy)aniline98%
4-(chlorodifluoromethoxy)benzenamine
4-(Chlorodifluoromethoxy)aniline 98%
4-(CHLORO-DIFLUORO-METHOXY)-PHENYLAMINE
Benzenamine, 4-(chlorodifluoromethoxy)-
1-Amino-4-(chlorodifluoromethoxy)benzene
[Molecular Formula]

C7H6ClF2NO
[MDL Number]

MFCD01820809
[MOL File]

39065-95-7.mol
[Molecular Weight]

193.58
Chemical PropertiesBack Directory
[Boiling point ]

231.9±40.0 °C(Predicted)
[density ]

1.402±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Sparingly)
[form ]

liquid
[pka]

4.04±0.10(Predicted)
[color ]

Pale yellow
[InChI]

InChI=1S/C7H6ClF2NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
[InChIKey]

QDTUQGSYECRXDO-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(OC(Cl)(F)F)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

20/21/22-36/37/38-43-22
[Safety Statements ]

26-36/37/39-36/37
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HS Code ]

2921420090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

4-Chlorodifluoromethoxyaniline has been used as a reactant for the preparation of arylphthalazines as a potent and orally bioavailable inhibitor of VEGFR-2.
[Synthesis]

1-(CHLORO-DIFLUORO-METHOXY)-4-NITRO-BENZENE

40750-71-8

4-(CHLORO-DIFLUORO-METHOXY)-PHENYLAMINE

39065-95-7

General procedure for the synthesis of 4-(chlorodifluoromethoxy)aniline from 1-(chlorodifluoromethoxy)-4-nitrobenzene: 167 g of 1-(chlorodifluoromethoxy)-4-nitrobenzene was added to an autoclave, followed by the addition of 200 g of ethyl acetate and 15 g of nickel Nguyenne. After changing to a nitrogen atmosphere, hydrogen was introduced and the pressure in the autoclave was maintained at 2~3 MPa, and the reaction temperature was controlled at 30-40 °C. After the system pressure was stabilized and no longer decreased, the reaction was continued for 1 hour. Upon completion of the reaction, samples were taken and analyzed to ensure that the residual nitro compounds in the hydrogenation reaction solution were less than 0.5%. Subsequently, the catalyst was removed by filtration, and most of the solvent was firstly recovered by distillation at atmospheric pressure, and then purified by decompression distillation, finally 92.6 g of 4-(chlorodifluoromethoxy)aniline was obtained with a yield of 64.2%.

[References]

[1] Russian Journal of Organic Chemistry, 2002, vol. 38, # 2, p. 269 - 271
[2] Green Chemistry, 2018, vol. 20, # 1, p. 130 - 135
[3] Patent: CN104119238, 2016, B. Location in patent: Paragraph 0018; 0032; 0033; 0037; 0038
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