398-90-3|N-(2,5-Difluorophenyl)acetamide| Ambeed

Size	Price	VIP Price	US Stock	Global Stock	In Stock
{[ item.pr_size ]}		Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

{[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

Quality Control of [ 398-90-3 ] Purity: 97% SDS Specification

COA

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

NMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

CNMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

HPLC

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

LC-MS

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

1-2 Day Shipping
High Quality
Technical Support

Product Details of [ 398-90-3 ]

CAS No. :	398-90-3
Formula :	C₈H₇F₂NO
M.W :	171.14
SMILES Code :	CC(NC1=CC(F)=CC=C1F)=O
MDL No. :	MFCD00032512
InChI Key :	XDZRBPCZRHRSAE-UHFFFAOYSA-N
Pubchem ID :	242830

Safety of [ 398-90-3 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 398-90-3 ]

* 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 [ 398-90-3 ]

[ 398-90-3 ] Synthesis Path-Downstream 1~35

1
[ 108-86-1 ]
[ 398-90-3 ]
[ 325-59-7 ]

References: [1]Journal of Organic Chemistry,1955,vol. 20,p. 1577,1589.

2
[ 398-90-3 ]
[ 1542-36-5 ]

References: [1]Journal of the American Chemical Society,1951,vol. 73,p. 153.
Journal of the American Chemical Society,1959,vol. 81,p. 94,98.
[2]Patent: WO2020/41270,2020,A1 .

3
[ 367-30-6 ]
[ 108-24-7 ]
[ 398-90-3 ]

Yield	Reaction Conditions	Operation in experiment
100%	In dichloromethane; at 20.0℃;	Example 1 Synthesis of N-(2,5-difluorophenyl)acetamide 11 To a solution of 2,5-difluoroaniline 10 (30.72 g, 238 mmol) in 100 ml of dichloromethane was added acetic anhydride (29.15 g, 285 mmol) at room temperature. The resulting mixture was stirred at room temperature overnight. The volatile solvent was evaporated, and water (200 ml) was added. A white solid was collected by filtration and dried in vacuum, giving the desired product 11 as a white solid, 40 g (100%). 1H NMR (300 MHZ, CDCl3) δ 8.16 (m, 1H), 7.42 (brs, 1H), 7.01 (m, 1H), 6.72 (m, 1H), 2.22 (s, 3H).
92.8%	In dichloromethane; at 20.0℃; for 16.0h;	To a solution of compound 3.1 (10.0 g, 77.46 mmol, 1 equiv) in dichloromethane (35 mL) was added AC2O (9.47 g, 92.75 mmol, 8.69 mL, 1.20 equiv) in portions at 20 C. After addition was complete, the reaction mixture was stirred at 20 C for 16 hr. LC-MS showed compound 1 consumed, and the main product was compound 3.2 (r.t. = 0.626 min, [M+H]+ = 171.8). The reaction mixture was concentrated under reduced pressure. Then water (80 mL) was added to the residue and an off-white solid was collected by filtration and dried under vacuum to give compound 3.2 (12.3 g, 71.87 mmol, 92.8% yield). NMR (400 MHz, CDCb) d 8.23 - 8.12 (m, 1H), 7.46 (br s, 1H), 7.03 (dt, J = 4.8, 9.8 Hz, 1H), 6.72 (br t, J = 8.2 Hz, 1H), 2.24 (s, 3H).

References: [1]Patent: US2013/237725,2013,A1 .Location in patent: Paragraph 0047; 0048.
[2]Patent: WO2020/41270,2020,A1 .Location in patent: Paragraph 0352-0353.
[3]Recueil des Travaux Chimiques des Pays-Bas,1914,vol. 33,p. 299.
Chemisches Zentralblatt,1914,vol. 85,p. 320.
[4]Journal of Medicinal Chemistry,2005,vol. 48,p. 3141 - 3152.
[5]European Journal of Organic Chemistry,2012,p. 1967 - 1975.

4
[ 398-90-3 ]
[ 76-05-1 ]
[ 1994-23-6 ]
[ 114973-35-2 ]
[ 115591-68-9 ]

References: [1]Journal of Organic Chemistry,1988,vol. 53,p. 4582 - 4585.

5
[ 398-90-3 ]
<i>N</i>-(2,5-difluoro-phenyl)-thioacetamide [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 3141 - 3152.

6
[ 398-90-3 ]
[ 399-75-7 ]

References: [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 3141 - 3152.

7
[ 398-90-3 ]
[ 131105-89-0 ]

References: [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 3141 - 3152.

8
[ 398-90-3 ]
[ 400-05-5 ]

References: [1]Journal of the American Chemical Society,1951,vol. 73,p. 153.
Journal of the American Chemical Society,1959,vol. 81,p. 94,98.

9
[ 398-90-3 ]
[ 698-52-2 ]

References: [1]Journal of the American Chemical Society,1951,vol. 73,p. 153.
Journal of the American Chemical Society,1959,vol. 81,p. 94,98.
[2]Patent: WO2020/41270,2020,A1 .

10
[ 364-74-9 ]
[ 398-90-3 ]

References: [1]Recueil des Travaux Chimiques des Pays-Bas,1914,vol. 33,p. 299.
Chemisches Zentralblatt,1914,vol. 85,p. 320.

11
[ 367-30-6 ]
[ 398-90-3 ]

Yield	Reaction Conditions	Operation in experiment
	With acetic anhydride; In benzene;	REFERENCE EXAMPLE 14 Preparation of 2,5-difluoro-4-nitroacetanilide STR43 20.5 g of 2,5-difluoroaniline was dissolved in 68 ml of benzene, and 17.8 g of acetic anhydride was dropwise added. Fifteen hours later, benzene was distilled off, and the residue was washed with ethyl ether to obtain 25.6 g of 2,5-difluoroacetanilide as white crystals.

References: [1]Patent: US5039331,1991,A .

12
[ 422-64-0 ]
[ 398-90-3 ]
[ 114973-37-4 ]

Yield	Reaction Conditions	Operation in experiment
	With xenon difluoride;	Production example 5 According to the same procedure as shown in Production example 1, the use of 2.00 g of 2,5-difluoroacetanilide, 4.18 g of <strong>[422-64-0]pentafluoropropionic acid</strong> and 4.30 g of xenon difluoride gave 0.57 g of 2,5-difluoro-4-pentafluoroethylacetanilide as white crystals. Yield 16percent 1H-NMR (solvent, deutero chloroform; internal standard, TMS) delta(ppm) 2.30 (s, 3H), 7.32 (dd, 1H, J=6.5 Hz, 10.0 Hz), 8.00-8.30 (m, 1H), 8.45 (dd, 1H, J=6.5 Hz, 12.0 Hz) 19F-NMR (solvent, deutero chloroform; external standard, CF3CO2H) delta(ppm) 6.0 (m, 3F), 33.0 (m, 1F), 33.5 (s, 2F), 54.0 (m, 1F).

References: [1]Patent: EP246061,1987,A2 .

13
[ 375-22-4 ]
[ 398-90-3 ]
[ 114973-39-6 ]

Yield	Reaction Conditions	Operation in experiment
	With xenon difluoride;	Production example 7 According to the same procedure as shown in Production example 1, the use of 2.00 g of 2,5-difluoroacetanilide, 5.83 g of heptafluorobutyric acid and 4.27 g of xenon difluoride gave 0.65 g of 2,5-difluoro-4 heptafluoropropylacetanilide as white crystals. Yield 15% 1H-NMR (solvent, deutero chloroform; internal standard, TMS) δ(ppm) 2.25 (s, 3H), 7.05 (dd, 1H, J=6.0 Hz, 12.0 Hz), 7.55-7.90 (br., 1H), 8.20 (dd, 1H, J=6.5 Hz, 14.0 Hz).

References: [1]Patent: EP246061,1987,A2 .

14
[ 398-90-3 ]
[ 114973-35-2 ]

Yield	Reaction Conditions	Operation in experiment
	With xenon difluoride; trifluoroacetic acid; In dichloromethane; water;	Production example 1 3.50 Grams of 2,5-difluoroacetanilide was dissolved in 40 ml of dichloromethane, and to this solution, 5.10 g of trifluoroacetic acid was added dropwise at room temperature with stirring. Thereafter, 7.5 g of xenon difluoride was added in small portions with water-cooling. After addition, stirring was continued overnight at room temperature, and after adding water, extraction was carried out with 100 ml of dichloromethane. The dichloromethane layer was washed with water and dried over anhydrous sodium sulfate, and dichloromethane was removed by evaporation under reduced pressure to give 5.15 g of a product. This product was purified with column-chromatography on silica gel (solvent, chloroform: ethyl acetate = 20: 1) to give 1.35 g of 2,5-difluoro-4-trifluoromethylacetanilide as white crystals. Yield 25% 1H-NMR (solvent, deutero chloroform; internal standard, TMS) δ(ppm) 2.23 (s, 3H), 7.18 (dd, 1H, J=6.0 Hz, 10.0 Hz), 7.70-8.20 (br., 1H), 8.21 (dd, 1H, J=5.8 Hz, 12.0 Hz) 19F-NMR (solvent, deutero chloroform; external standard, CF3CO2H) δ(ppm) 18.0 (s, 3F), 37.0 (s, 1F), 54.0 (s, 1F).

References: [1]Patent: EP246061,1987,A2 .

15
[ 367-30-6 ]
[ 75-36-5 ]
[ 398-90-3 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 2714 - 2718.

16
[ 398-90-3 ]
[ 1019585-90-0 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 2714 - 2718.

17
[ 398-90-3 ]
[ 1374780-48-9 ]