287172-82-1|3-Chloro-2,6-difluoroaniline| Ambeed

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Quality Control of [ 287172-82-1 ] Purity: 98% SDS Specification

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Product Details of [ 287172-82-1 ]

CAS No. :	287172-82-1
Formula :	C₆H₄ClF₂N
M.W :	163.55
SMILES Code :	NC1=C(F)C=CC(Cl)=C1F
MDL No. :	MFCD06660173
Boiling Point :	No data available
InChI Key :	CIJUAFFSMAKNNH-UHFFFAOYSA-N
Pubchem ID :	17750745

Safety of [ 287172-82-1 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Application In Synthesis of [ 287172-82-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 287172-82-1 ]

[ 287172-82-1 ] Synthesis Path-Downstream 1~29

1
[ 287172-82-1 ]
[ 1422511-16-7 ]

References: [1]Patent: WO2013/22814,2013,A1 .
[2]Journal of Medicinal Chemistry,2020,vol. 63,p. 7226 - 7242.

2
[ 287172-82-1 ]
[ 1422511-17-8 ]

References: [1]Patent: WO2013/22814,2013,A1 .
[2]Journal of Medicinal Chemistry,2020,vol. 63,p. 7226 - 7242.

3
[ 287172-82-1 ]
[ 1422508-61-9 ]

References: [1]Patent: WO2013/22814,2013,A1 .

4
[ 287172-82-1 ]
[ 4755-77-5 ]
[ 1422511-15-6 ]

Yield	Reaction Conditions	Operation in experiment
72%	In tetrahydrofuran; for 0.5h;	35A. Ethyl [(3-chloro-2,6-difluorophenyl)carbamoyl]formate: To a solution of <strong>[287172-82-1]3-chloro-2,6-difluoroaniline</strong> (430 mg, 2.55 mmol) and TEA (0.5 mL, 3.59 mmol) in THF (5 mL) was added ethyl 2-chloro-2-oxoacetate (0.3 mL, 2.63 mmol). A white precipitate was formed immediately. After 30 min, the reaction mixture was filtered and rinsed with ether. The filtrate was concentrated to yield a crude yellow oil, which was purified by silica gel chromatography to yield the desired product (484 mg, 72%) as a white solid. 1H NMR (500 MHz, CDC13) δ 8.42 (br. s., 1H), 7.35 (m, 1H), 6.98 (m, 1H), 4.45 (q, J = 7.2 Hz, 2H), 1.45 (t, J = 7.2 Hz, 3H). MS (ESI) m/z: 263.9 (M+H)+.

References: [1]Patent: WO2013/22814,2013,A1 .Location in patent: Paragraph 00529.
[2]Journal of Medicinal Chemistry,2020,vol. 63,p. 7226 - 7242.

5
[ 626-35-7 ]
[ 287172-82-1 ]
[ 122-51-0 ]
[ 1422386-57-9 ]

Yield	Reaction Conditions	Operation in experiment
15%	With acetic acid; In ethanol; at 70℃; for 92.0h;Sealed tube;	[00395] Intermediate 35A. Ethyl 3-((3-chloro-2,6-difluorophenyl)amino)-2- nitroacrylate: A sealed, high pressure vial containing a clear, colorless solution of ethyl nitroacetate (0.170 ml, 1.529 mmol), triethylorthoformate (0.255 ml, 1.529 mmol), 3- chloro-2,6-difluoroaniline (0.250 g, 1.529 mmol), acetic acid (0.026 ml, 0.459 mmol), and EtOH (1.529 ml) was heated to 70 C. After 92 h, the clear, dark yellow solution was concentrated to give an orange oil. Purification by normal phase chromatography gave Intermediate 35A (0.0721 g, 15%) as a yellow solid. MS(ESI) m/z: 307.0 (M+H)+.

References: [1]Patent: WO2013/22818,2013,A1 .Location in patent: Paragraph 00395.

6
[ 287172-82-1 ]
[ 1422386-23-9 ]

References: [1]Patent: WO2013/22818,2013,A1 .

7
[ 287172-82-1 ]
[ 1422386-27-3 ]

References: [1]Patent: WO2013/22818,2013,A1 .

8
[ 287172-82-1 ]
[ 1422385-91-8 ]

References: [1]Patent: WO2013/22818,2013,A1 .

9
[ 287172-82-1 ]
[ 1422385-92-9 ]

References: [1]Patent: WO2013/22818,2013,A1 .

10
[ 287172-82-1 ]
[ 1422386-25-1 ]

Yield	Reaction Conditions	Operation in experiment
56%		[00377] Intermediate 26A. 2-Azido-4-chloro-l,3-difluorobenzene: To a solution of 3- chloro-2,6-difluoroaniline (1.7 g, 10.39 mmol) in TFA (10 mL) and water (2 mL) at 0 C was added sodium nitrite (0.717 g, 10.39 mmol) over a period of 0.5 h. After completion of addition, sodium azide (1.716 g, 26.4 mmol) in water (5 mL) was added dropwise. The reaction mixture was stirred at 0 C for 10 min and then allowed to warm to rt. The reaction was diluted with water (75 mL) and extracted with EtOAc. The organic layer was dried and concentrated to give the desired product (1.16 g, 56%) as a brown solid.

References: [1]Patent: WO2013/22818,2013,A1 .Location in patent: Paragraph 00377.

11
[ 287172-82-1 ]
[ 149-73-5 ]
C₈H₆ClF₂NO [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; at 120℃; for 2.0h;Inert atmosphere;	General procedure: To a solution of 3-(trifluoromethyl)aniline(5.0 g, 31 mmol) and trimethyl orthoformate (4.9 g, 46.5mmol) was added three drops of sulfuric acid.This mixture was slowly heated to 120 oC to allow MeOH to be distilled off, stirred for 2 h at 120 oC, heated to 170 oCfor 30 min, and cooled to 100 oC.Then aq. HCl (10%; 25 mL) was added.This mixture was then refluxed for 3 h, cooled to 0 oC (ice bath) and finally basified with aq. NaOH (20%).This solution was extracted with EtOAc (3 × 30 mL), dried (MgSO4), filtered, and concentrated under reduced pressure. The crudeproduct was purified on a silica gel column with gradient elution (hexanes hexane-EtOAc; 1: 10 v/v) to afford S7 as a colorless oil

References: [1]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 225 - 228.

12
[ 287172-82-1 ]
1-(3-chloro-2,6-difluorophenyl)-1-methyl-3-(naphthalen-1-yl)guanidine [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 225 - 228.

13
[ 287172-82-1 ]
C₈H₆ClF₂NO [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 225 - 228.

14
[ 287172-82-1 ]
3-chloro-2,6-difluoro-N-methylaniline [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 225 - 228.

15
[ 287172-82-1 ]
3-chloro-2,6-difluoro-N,N-bis(2-hydroxyphenyl)aniline [ No CAS ]

References: [1]Patent: JP2020/111534,2020,A .

16
[ 287172-82-1 ]
6-chloro-[1,4]benzoxazino[2,3,4-kl]phenoxazine [ No CAS ]

References: [1]Patent: JP2020/111534,2020,A .

17
[ 287172-82-1 ]
C₄₂H₂₄N₂O₄ [ No CAS ]

References: [1]Patent: JP2020/111534,2020,A .

18
[ 287172-82-1 ]
C₃₄H₂₁NO₂ [ No CAS ]

References: [1]Patent: JP2020/111534,2020,A .

19
[ 287172-82-1 ]
C₃₀H₁₇NO₂S [ No CAS ]

References: [1]Patent: JP2020/111534,2020,A .

20
[ 287172-82-1 ]
C₄₃H₂₇NO₂ [ No CAS ]

References: [1]Patent: JP2020/111534,2020,A .

21
[ 529-28-2 ]
[ 287172-82-1 ]
3-chloro-2,6-difluoro-N,N-bis(2-methoxyphenyl)aniline [ No CAS ]