171723-95-8|2,2,2-Trifluoro-N-(4-(hydroxymethyl)benzyl)acetamide| Ambeed

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Quality Control of [ 171723-95-8 ] Purity: 95% SDS Specification

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Product Details of [ 171723-95-8 ]

CAS No. :	171723-95-8
Formula :	C₁₀H₁₀F₃NO₂
M.W :	233.19
SMILES Code :	O=C(NCC1=CC=C(CO)C=C1)C(F)(F)F
MDL No. :	MFCD09753631
InChI Key :	BRPKWGMIAIWOJL-UHFFFAOYSA-N
Pubchem ID :	15852209

Safety of [ 171723-95-8 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319
Precautionary Statements:	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Application In Synthesis of [ 171723-95-8 ]

* 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 [ 171723-95-8 ]

[ 171723-95-8 ] Synthesis Path-Downstream 1~35

1
[ 124-63-0 ]
[ 171723-95-8 ]
[ 168830-84-0 ]

References: [1]Chemical and Pharmaceutical Bulletin,1998,vol. 46,p. 1274 - 1285.

2
[ 39895-56-2 ]
[ 407-25-0 ]
[ 171723-95-8 ]

Yield	Reaction Conditions	Operation in experiment
15.87 g	With triethylamine; In dichloromethane; at 0 - 20℃; for 22.0h;	20.0 g (0328) (132 mmol) of 4-(aminomethyl)benzoic acid was dispersed in 100 mL of anhydrous THF, and 350 mL (2.65 equiv.) of 1M borane-THF in THF was added dropwise. The reaction mixture was heated to reflux for eight hours, and then allowed to cool to room temperature. 100 mL of MeOH was added to quench the remaining borane-THF, and the reaction was stirred for an additional 15 minutes. The reaction solution was then filtered over celite and evaporated in vacuo to give a light yellow solid. 250 mL of DCM was then added to the reaction flask containing the crude intermediate product, followed by 37 mL (2 equiv.) of triethylamine. The reaction was cooled to 0C, 21 mL (1.1 equiv.) of trifluoroacetic anhydride was added dropwise and the reaction was allowed to stir overnight, allowing it to gradually reach room temperature. After 22 hours of reaction time, all of the starting material had been consumed as evidenced by TLC. 250 mL of water was added to the reaction and the organic layer was separated. The aqueous layer was extracted once more with 250 mL of DCM, the combined organics were washed with water (100 mL), and were dried over sodium sulfate, filtered and evaporated in vacuo to give a thick yellow oil. This oil was purified via automated flash chromatography (EPCLC W-Prep 2XY, Yamazen Corp., Yodogawa-Ku Osaka, Japan) using DCM/MeOH as the eluents. The fractions containing the desired product were combined and evaporated to give 15.87 g (51.44% yield for both steps) of 3 as a white solid. lH NMR (300 MHz, CDC13) δ 7.34 (d, J = 8.17 Hz, 2H), 7.26 (d, J = 8.16 Hz, 2H), 6.86 (s, br, 1H), 4.66 (s, 2H), 4.49 (d, J = 5.86 Hz, 2H), 2.02 (s, 1H).

References: [1]Tetrahedron,2011,vol. 67,p. 2251 - 2259.
[2]Chemical and Pharmaceutical Bulletin,1998,vol. 46,p. 1274 - 1285.
[3]Patent: WO2013/109859,2013,A1 .Location in patent: Paragraph 0298.
[4]Patent: WO2017/100154,2017,A1 .Location in patent: Paragraph 00120.

3
[ 171723-95-8 ]
1-(4-aminomethylbenzykl)-4-pyridyl benzhydrylcarbamate [ No CAS ]

References: [1]Chemical and Pharmaceutical Bulletin,1998,vol. 46,p. 1274 - 1285.

4
[ 171723-95-8 ]
[ 168830-86-2 ]

References: [1]Chemical and Pharmaceutical Bulletin,1998,vol. 46,p. 1274 - 1285.

5
[ 3993-78-0 ]
[ 171723-95-8 ]
[ 913817-36-4 ]

Yield	Reaction Conditions	Operation in experiment
63%		Example 2: N-[4-(2-Amino-pyrimidin-4-yloxymethyl)-benzyl1-2,2,2-trifluoro-acetamide (5) 252 mg (1.15 mmol) 2,2,2-trifluoro-N-(4-hydroxymethyl-benzyl)-acetamide is dissolved in 2 mL dry dimethylacetamide under argon atmosphere, and 56 mg (2.31 mmol) NaH is added. 100 mg (0.77 mmol) 2-amino-4-chloro-pyrimidine (2) is added and the solution stirred at room temperature over night. 1 mL water is added carefully to quench all excess NaH and the mixture poured into 50 ml of 0.5 N HCI. The crude product is extracted with ethyl acetate, the combined organic phases washed with brine and dried over MgSO4. After evaporation of the solvent, the product is purified by flash column chromatography (ethyl acetate :cyclohexane 1 :1 ). Yield: 160 mg (63%). ESI-MS m/z 327.4 [M+H]+.

References: [1]Patent: WO2006/114409,2006,A1 .Location in patent: Page/Page column 18.

6
[ 124-63-0 ]
[ 171723-95-8 ]
[ 171722-92-2 ]
1-(4-trifluoroacetamidobenzyl)-4-piperidyl N-(2-biphenylyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; triethylamine; In N-methyl-acetamide; dichloromethane;	Example 35 A 0.23 ml portion of methanesulfonyl chloride was added dropwise to 12 ml of an ice-cooled dichloromethane solution containing 0.64 g of N-[4-(hydroxymethyl)benzyl]trifluoroacetamide and 0.33 g of triethylamine, and the reaction mixture was stirred at room temperature for 3 hours. The reaction mixture was poured into water and extracted with dichloromethane and the resulting organic layer was washed with water and brine, and then dried over anhydrous sodium sulfate, and then the solvent was removed under reduced pressure. The resulting residue was dissolved in 5 ml of dimethylformamide and added dropwise to a mixture of 0.74 g of 4-piperidyl N-(2-biphenylyl)carbamate and 0.37 g of potassium carbonate suspended in 20 ml of ice-cooled dimethylformamide, and the reaction mixture was stirred at room temperature overnight. The reaction solution was poured into water and extracted with ethyl acetate, the resulting organic layer was washed with water and brine in that order and dried over anhydrous sodium sulfate and then the solvent was removed under reduced pressure. The resulting residue was purified by silica gel column chromatography (chloroform/methanol = 100/1) to give 1.19 g of 1-(4-trifluoroacetamidobenzyl)-4-piperidyl N-(2-biphenylyl)carbamate as pale yellow oil.

References: [1]Patent: EP747355,1996,A1 .

7
[ 171723-95-8 ]
1‐(2‐amino‐9H‐purin‐6‐yl)‐1‐methylpyrrolidin‐1‐ium chloride [ No CAS ]
[ 680622-70-2 ]

References: [1]Patent: WO2013/109859,2013,A1 .Location in patent: Paragraph 0298.
[2]Journal of Medicinal Chemistry,2008,vol. 51,p. 7144 - 7153.
[3]Angewandte Chemie - International Edition,2014,vol. 53,p. 6720 - 6723.
Angew. Chem.,2014,vol. 126,p. 6838 - 6841,4.

8
[ 56-05-3 ]
[ 171723-95-8 ]
[ 913817-44-4 ]