[ CAS No. 82317-83-7 ] {[proInfo.proName]}

Name: 82317-83-7|(R)-2-((tert-Butoxycarbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid|97%
Brand: Ambeed
SKU: A707258
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Quality Control of [ 82317-83-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 82317-83-7 ]

Product Details of [ 82317-83-7 ]

CAS No. :	82317-83-7	MDL No. :	MFCD00797557
Formula :	C₁₅H₁₈F₃NO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SMVCCWNHCHCWAZ-LLVKDONJSA-N
M.W :	333.30	Pubchem ID :	2736198
Synonyms :

Safety of [ 82317-83-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 82317-83-7 ]

* 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 [ 82317-83-7 ]

[ 82317-83-7 ] Synthesis Path-Downstream 1~71

1
[ 58632-95-4 ]
[ 3832-75-5 ]
[ 82317-83-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 826 - 828

2
[ 82317-83-7 ]
[ 125218-25-9 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 826 - 828

3
[ 82317-83-7 ]
[ 119744-87-5 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1108 - 1118

4
[ 24424-99-5 ]
[ 3832-75-5 ]
[ 82317-83-7 ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 2090 - 2099

5
[ 82317-83-7 ]
[ 103-67-3 ]
[ 142995-32-2 ]

Reference： [1]ACS Combinatorial Science,2020
[2]Journal of Medicinal Chemistry,1994,vol. 37,p. 2090 - 2099

6
[ 82317-83-7 ]
[ 1117-97-1 ]
[ 949908-59-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5176 - 5181

7
[ 82317-83-7 ]
[ 911787-18-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5176 - 5181

8
[ 82317-83-7 ]
(S)-2-Amino-3-methyl-butyric acid (S)-2-amino-1-ethylcarbamoyl-3-(4-trifluoromethyl-phenyl)-propyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5176 - 5181

9
[ 82317-83-7 ]
[ 949908-61-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5176 - 5181

10
[ 82317-83-7 ]
2-tert-butoxycarbonylamino-3-methyl-butyric acid 2-tert-butoxycarbonylamino-1-ethylcarbamoyl-3-(4-trifluoromethyl-phenyl)-propyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5176 - 5181

11
[ 82317-83-7 ]
[ 949908-65-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5176 - 5181

12
[ 82317-83-7 ]
5-[1,2]Dithiolan-3-yl-pentanoic acid {(S)-1-[(S)-2-ethylcarbamoyl-2-oxo-1-(4-trifluoromethyl-benzyl)-ethylcarbamoyl]-2-methyl-propyl}-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5176 - 5181

13
[ 82317-83-7 ]
[ 269726-77-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: Et₃N / tetrahydrofuran 2: diethyl ether 3: aq. C₆H₅CO₂Ag / dioxane / 20 °C / sonication

Reference： [1]Xu, Jinyou; Ok, Hyun O.; Gonzalez, Edward J.; Colwell Jr., Lawrence F.; Habulihaz, Bahanu; He, Huaibing; Leiting, Barbara; Lyons, Kathryn A.; Marsilio, Frank; Patel, Reshma A.; Wu, Joseph K.; Thornberry, Nancy A.; Weber, Ann E.; Parmee, Emma R. [Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 18, p. 4759 - 4762]

14
[ 82317-83-7 ]
(S)-2-Amino-N-benzyl-N-methyl-3-(4-trifluoromethyl-phenyl)-propionamide; hydrochloride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 2090 - 2099

15
[ 82317-83-7 ]
[ 143016-41-5 ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 2090 - 2099

16
[ 82317-83-7 ]
<(1-methyl-1H-indol-3-yl)carbonyl>-(2S,4R)Hyp-Phe(4-CF3)-NMeBzl [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 2090 - 2099

17
[ 82317-83-7 ]
(2S,4R)-4-Hydroxy-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-(4-trifluoromethyl-phenyl)-ethyl]-amide; hydrochloride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 2090 - 2099

18
[ 82317-83-7 ]
[ 119744-82-0 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1108 - 1118

19
[ 82317-83-7 ]
[ 119769-38-9 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1108 - 1118

20
[ 82317-83-7 ]
(S)-2-Amino-3-(4-trifluoromethyl-phenyl)-propionamide; hydrochloride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1108 - 1118

21
[ 82317-83-7 ]
N¹-Ethyl-N¹-glycyl-L-4-trifluoromethylphenylalaninamide hydrochloride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1108 - 1118

22
[ 82317-83-7 ]
[ 119745-76-5 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1108 - 1118

23
[ 82317-83-7 ]
(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid ([(S)-1-carbamoyl-2-(4-trifluoromethyl-phenyl)-ethyl]-ethyl-carbamoyl}-methyl)-amide; compound with acetic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 1108 - 1118

24
C₄₃H₅₁N₆O₈Pol [ No CAS ]
[ 82317-83-7 ]
C₅₈H₆₇F₃N₇O₁₁Pol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 48h;	A solution of N-[(l,l-dimethylethoxy)carbonyl]-4-(trifluoromethyl)- L-phenylalanine (0.00108 mol), tetramethylfluoroformamidinium hexafluorophosphate (0.00108 mol) and DIPEA (0.0018 mol) in DMF dry (10 ml) was added to resin intermediate 91 (crude; previously washed 2 x with dry DMF) and the whole was shaken for 48 hours at room temperature. The resin was filtered off, washed with DCM (3 x), with [MeOH (3 x), DCM (3 x)] [5 x], then dried, yielding intermediate 92.

Reference： [1]Patent: WO2006/61415,2006,A1 .Location in patent: Page/Page column 101

25
[ 402-49-3 ]
[ 82317-83-7 ]

Yield	Reaction Conditions	Operation in experiment
60%		Example II-6 N-t-butoxycarbonyl-DL-4-trifluoromethylphenylalanine In the same manner as in Example II-5 except for using 9 4-trifluoromethylbenzyl bromide in place of 4-cyanobenzyl bromide, the reaction was carried out to obtain the title compound (overall yield 60%) as white solid. 1H-NMR (CDCl3) delta; 8.04 (brs, 1H), 7.56 (d, J=8.0 Hz, 2H), 7.32 (d, J=8.0 Hz, 2H), 5.08-4.98 (m, 1H), 4.71-4.62 (m, 1H), 3.25-3.07 (m, 2H), 1.41 (s, 9H). CI-MS (m/z); 278

Reference： [1]Patent: US6265418,2001,B1

26
[ 82317-83-7 ]
ethyl 5-[N-t-butoxycarbonyl-DL-4-trifluoromethylphenylalanyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		(57-A) In the same manner as in Example I-(1-A) except for using 0.32 g (1.0 mmol) of N-t-butoxycarbonyl-DL-4-trifluoromethylphenylalanine in place of N-t-butoxycarbonyl-L-4-nitrophenylalanine and 0.78 g (1.5 mmol) of PyBOP in place of BOP, and purification was carried out by changing the eluent composition in the silica gel column chromatography method to (hexane/ethyl acetate=5/1-3/1), the reaction was carried out to obtain 0.31 g (0.82 mmol) of ethyl 5-[N-t-butoxycarbonyl-DL-4-trifluoromethylphenylalanyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-acetate as colorless oily product. 1H-NMR (CDCl3) delta; 7.52-7.40 (m, 2H), 7.31-7.24 (m, 2H), 6.61, 6.38 (each s, total 1H), 5.50-5.34 (m, 1H), 5.00-4.86 (m, 1H), 4.66-4.32 (m, 2H), 4.22-4.01 (m, 3H), 3.73, 3.70 (each s, total 2H), 3.68-3.46 (m, 1H), 3.18-2.99 (m, 2H), 2.80-2.37 (m, 2H), 1.41, 1.39 (each s, total 9H), 1.25 (t, J=8.0 Hz, 3H). CI-MS (m/z); 485

Reference： [1]Patent: US6265418,2001,B1

27
[ 82317-83-7 ]
[ 944470-71-7 ]

Yield	Reaction Conditions	Operation in experiment
63%		(S)-tert-Butyl 1 -hydroxy-3-(4-(trifluoromethyl)phenyl)propan-2- ylcarbamate. In a IL round bottom flask, (S)-2-(tert-butoxycarbonyl)-3-(4- (trifluoromethyl)phenyl)propanoic acid purchased from Peptech (CAS No. 114873-07-3) (30.00 g, 90.1 mmol) was dissolved in 300 mL THF and cooled to -10C in an acetone- dry ice bath. 4-Methylmorpholine (9.54 g, 94.6 mmol) was then added at one portion. To this mixture was added ethyl chloroformate (19.56 g, 180.2 mmol) drop wise. After addition, the reaction mixture was stirred for 45 minutes at -10C. To the resulting mixture was added NaBHi in one portion. The reaction flask was cooled to 0C by switching to an ice-water bath. MeOH (100 mL) was then added slowly to the mixture using a dropping funnel over one hour. After addition, the mixture was stirred for an additional three hours as the temperature warmed from 0C to room temperature. The reaction mixture was then cooled to 0C and quenched with careful addition of 30 mL IN HCl. After quenching, the cold bath was removed, and the reaction mixture was allowed to warm to room temperature. The reaction mixture was then filtered. The solid obtained was washed with EtOAc until the filtrate was not UV active. After the solvent was evaporated under reduced pressure, the product was re-dissolved in EtOAc. The organic layer was washed with a saturated ammonia chloride solution and saturated sodium bicarbonate and then dried with sodium sulfate. After removing the solvent, the resulting product was subjected to a silica gel column chromatography separation using DCM as the eluant. The product was isolated as a white solid (15g, yield 63%). LCMS (API-ES) m/z (%): 264.0 (100%, M-55).
63%		[00193] (S)-tert-Butyl 1 -hydroxy-3-(4-(trifluoromethyl)phenyl)propan-2- ylcarbamate: In a IL round bottom flask, (S)-2-(tert-butoxycarbonyl)-3-(4- (trifiuoromethyl)phenyl)propanoic acid purchased from Peptech (CAS No. 114873-07-3) (30.00 g, 90.1 mmol) was dissolved in 300 mL THF and cooled to -10 0C in an acetone- dry ice bath. 4-Methylmorpholine (9.54 g, 94.6 mmol)(commercially available from Aldrich) was added in one portion. To this mixture was added ethyl chloroformate (19.56 g, 180.2 mmol) drop wise. After the addition, the reaction mixture was stirred for 45 minutes at -10 0C. To this mixture was then added NaBH) in one portion. The reaction flask was cooled to 0 0C by switching to an ice- water bath. MeOH (100 mL) was added slowly using a dropping funnel over one hour. After the addition, the mixture was stirred for an additional three hours from O0C to room temperature. The reaction mixture was cooled to 0 0C again and quenched with careful addition of 30 mL IN HCl. After quenching, the cold bath was removed and the reaction mixture was allowed to warm to room temperature. The reaction mixture was filtered. The solid obtained was washed with EtOAc until the filtrate was not UV active. After the solvent was evaporated under reduced pressure, the crude product was re-dissolved in EtOAc. The organic layer was washed with saturated ammonium chloride solution and saturated sodium bicarbonate and then dried over sodium sulfate. After removing the solvent, the crude product was subjected to a silica gel column chromatography separation using DCM as the eluant. <n="94"/>The product was isolated as a white solid (15g, yield 63%). LCMS (API-ES) m/z (%): 264.0 (100%, M-55).

Reference： [1]Patent: WO2009/11871,2009,A2 .Location in patent: Page/Page column 112; 113
[2]Patent: WO2009/11880,2009,A2 .Location in patent: Page/Page column 91-93

28
[ 2033-24-1 ]
[ 82317-83-7 ]
[ 1105710-25-5 ]

Yield	Reaction Conditions	Operation in experiment
95%	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at -5 - 20℃; for 0.666667h;	[00318] (S)-tert-Butyl l-(2,2-dimethyl-4,6-dioxo-l,3-dioxan-5-yl)-l-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-ylcarbamate: (S)-2-(tert-Butoxycarbonyl)-3-(4- (trifluoromethyl)phenyl)propanoic acid (16.0 g, 48 mmol)(commercially available from 3B Scientific Corporation Product List (Order Number 3B3-007199)), 2,2-dimethy 1-1,3 - dioxane-4,6-dione (7.6 g, 53 mmol), and N,N-dimethylpyridin-4-amine (9.1 g, 74 mmol) in 200 mL DCM were cooled to -5C. N-((cyclohexylimino)methylene)- cyclohexanamine (1 1 g, 53 mmol) in 50 mL DCM was added dropwise over 40 minutes. The resulting mixture was stirred overnight at room temperature. The suspension was filtered and washed with DCM. The filtrate was washed with 5% KHSO4 four times, once with brine, and dried over sodium sulfate. The desired product was obtained as a white amorphous solid (21.0 g, 95 %). No further purification was performed and the reaction was carried on to the next step.
95%	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at -5 - 20℃;	(5)-tert-Butyl 1 -(2,2-dimethyl-4,6-dioxo- 1 ,3-dioxan-5-yl)- 1 -oxo-3-(4-(trifluoromethyl)phenyl)propan-2-ylcarbamate. Boc-L-4-trifluoromethylphenylalanine (Fluka F15017) (16.0 g, 48 mmol), 2,2-dimethyl-l,3-dioxane-4,6-dione (Aldrich 210145) (7.6 g, 53 mmol), and 4-dimethylaminopyridine (Aldrich 522813) (9.1 g, 74 mmol) in 200 mL DCM were cooled to - 5 0C. l^-Dicyclohexylcarbodiimide (Aldrich D80002) (11 g, 53 mmol) in 50 mL DCM was added dropwise over 40 minutes. The resulting mixture was stirred overnight at room temperature. The suspension was filtered washing with DCM. The filtrate was washed with 5% KHSO4 four times and once with brine. The separated organic layer was dried with sodium sulfate and filtered. Evaporation of the solvent provided the desired product as a white amorphous solid (21.0 g, 95 %). No further purification was carried out and the reaction was carried on to the next step. 1H NMR (400 MHz, CDCl3) delta ppm 1.22 - 1.43 (s, 9 H), 1.64 - 1.67 (s, 3 H), 1.75 - 1.77 (s, 3 H), 2.80 - 2.95 (d, 1 H), 3.13 - 3.31 (d, 1 H), 4.91 - 5.14 (s, 1 H), 5.85 - 5.98 (t, 1 H), 7.44 (d, 2 H), 7.57 (d, 2 H).

Reference： [1]Patent: WO2009/11880,2009,A2 .Location in patent: Page/Page column 148
[2]Patent: WO2010/83246,2010,A1 .Location in patent: Page/Page column 159-160

29
[ 1105709-98-5 ]
[ 82317-83-7 ]
[ 1105709-99-6 ]

Yield	Reaction Conditions	Operation in experiment
	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide;	[00224] tert-Butyl (S)- 1 -(5-(3-methyl- 1 H-indazol-5-yl)oxazol-2-ylamino)- 1 -oxo-3-(4-(trifluorornethyl)phenyl)propan-2-ylcarbamate: This intermediate was prepared by EDC-HOBt coupling of 5-(3-methyl-lH-indazol-5-yl)oxazol-2-amine with (S)-2-(tert- butoxycarbonylamino)-3-(4-(trifluoromethyl)phenyl)propanoic acid (purchased from Peptech (CAS No. 114873-07-3)) using a standard procedure such as described in Bioorg. Med. Chem. 14(2), 418-425; 2006) which is hereby incorporated by reference in its entirety as if specifically set forth herein.

Reference： [1]Patent: WO2009/11880,2009,A2 .Location in patent: Page/Page column 103-105

30
[ 885222-34-4 ]
[ 82317-83-7 ]
C₂₄H₂₃F₃N₆O₃S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1652 - 1656

31
[ 885223-56-3 ]
[ 82317-83-7 ]
C₂₆H₂₄F₃N₅O₃S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1652 - 1656

32
[ 885223-59-6 ]
[ 82317-83-7 ]
C₂₅H₂₅F₃N₆O₃S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1652 - 1656

33
[ 885223-51-8 ]
[ 82317-83-7 ]
C₂₇H₂₆F₃N₅O₃S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1652 - 1656

34
[ 885222-81-1 ]
[ 82317-83-7 ]
C₂₇H₂₇F₃N₆O₃S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1652 - 1656

35
[ 82317-83-7 ]
[ 244152-11-2 ]
[ 1226790-28-8 ]

Reference： [1]Organic and Biomolecular Chemistry,2010,vol. 8,p. 1577 - 1587

36
[ 67-56-1 ]
[ 82317-83-7 ]
4-trifluoromethyl-L-phenylalanine methyl ester hydrochloride [ No CAS ]

Reference： [1]Journal of Peptide Science,2012,vol. 18,p. 418 - 426

37
[ 82317-83-7 ]
[ 1378243-19-6 ]

Reference： [1]Journal of Peptide Science,2012,vol. 18,p. 418 - 426

38
[ 82317-83-7 ]
[ 1378243-29-8 ]

Reference： [1]Journal of Peptide Science,2012,vol. 18,p. 418 - 426

39
[ 1421689-04-4 ]
[ 82317-83-7 ]
C₃₁H₃₈F₃N₃O₇ [ No CAS ]

Reference： [1]Chemical Biology and Drug Design,2012,vol. 80,p. 843 - 852,10

40
[ 82317-83-7 ]
[ 775354-32-0 ]
C₃₂H₄₀F₃N₃O₇ [ No CAS ]

Reference： [1]Chemical Biology and Drug Design,2012,vol. 80,p. 843 - 852,10

41
[ 1421689-05-5 ]
[ 82317-83-7 ]
C₃₇H₄₂F₃N₃O₇ [ No CAS ]

Reference： [1]Chemical Biology and Drug Design,2012,vol. 80,p. 843 - 852,10

42
[ 82317-83-7 ]
[ 175854-39-4 ]
1,4,7-tris(tert-butoxycarbonyl)-10-(N-tert-butoxycarbonyl-(S)-(4-trifluoromethylphenyl)alanyl)-1,4,7,10-tetraazacyclododecane [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2013,vol. 8,p. 2125 - 2135

43
[ 82317-83-7 ]
[ 175854-39-4 ]
1-(S)-4-trifluoromethylphenylalanyl-1,4,7,10-tetraazacyclododecane tris(trifluoroacetic acid) salt [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2013,vol. 8,p. 2125 - 2135

44
[ 82317-83-7 ]
(S)-1-((S)-2-amino-3-(4-(trifluoromethyl)phenyl) propanoyl)pyrrolidine-2-carbonitrile [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7418 - 7429

45
[ 483366-11-6 ]
[ 82317-83-7 ]
tert-butyl N-[(2S)-1-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]-1-oxopropan-2-yl]carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: A solution of compound 3 (10.0 g, 50.96 mmol) in CH3CN (50 mL) was added 4-methylbenzenesulfonic acid hydrate (14.54 g, 76.43 mmol) and stirred at room temperature for 24 h. After the reaction completed, the solution was removed in vacuo. The residual white solid was dissolved in EtOAc (100 mL) and put into fridge overnight, the product 4 (10.3 g, 75%) was precipitated as a white needle crystal. 1H NMR (300 MHz, CD3OD) delta 7.77 (d, J = 7.8 Hz, 2H), 7.20 (d, J = 8.1 Hz, 2H), 4.76-4.75 (m, 1H), 3.51-3.50 (m, 2H), 2.38 (s, 3H), 2.34-2.31 (m, 1H), 2.17-2.09 (m, 2H), 1.90-1.87 (m, 1H). MS (ESI) m/z 97 [M+H]+

Reference： [1]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7418 - 7429

46
[ 483366-11-6 ]
[ 82317-83-7 ]
(2S,4S)-1-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propanoyl]-4-fluoropyrrolidine-2-carbonitrile [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7418 - 7429

47
[ 204387-54-2 ]
[ 82317-83-7 ]
C₂₀H₂₄F₃N₃O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		General procedure: (S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropanoic acid (compound 5a, 203.6 mg, 0.768 mmol) in DMF (5 mL) was added HOBt (283.2 mg, 2.10 mmol) and EDCI (257.8 mg, 1.396 mmol). After stirring for 30 min compound 4 (187.2 mg, 0.698 mmol) and additional TEA (0.30 mL, 2.10 mmol) were added. This solution was allowed to stir at room temperature for 20 h and then the saturated NaHCO3 was added. The mixture was extracted with EtOAc and washed with saturated NaCl, dried over Na2SO4 and concentrated. The residue was purified with flash chromatography on silica gel, eluted with a mixture of PE/EA (4/1, v/v) to afford 6a (130 mg, 54%) as a white solid.

Reference： [1]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 7418 - 7429

48
[ 82317-83-7 ]
C₁₅H₂₄F₃NO₄ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

49
[ 82317-83-7 ]
tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxo-3-(4-(trifluoromethyl)cyclohexyl)propan-2-yl)carbamate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

50
[ 82317-83-7 ]
tert-butyl (S)-(4-methyl-3-oxo-1-(4-(trifluoromethyl)cyclohexyl)pent-4-en-2-yl)carbamate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

51
[ 82317-83-7 ]
tert-butyl ((2S,3R)-3-hydroxy-4-methyl-1-(4-(trifluoromethyl)cyclohexyl)pent-4-en-2-yl)carbamate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

52
[ 82317-83-7 ]
C₁₈H₂₈F₃NO₄ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

53
[ 82317-83-7 ]
C₁₈H₃₀F₃NO₄ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

54
[ 82317-83-7 ]
C₁₃H₂₀F₃NO₂*C₂HF₃O₂ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

55
[ 82317-83-7 ]
C₃₂H₄₅F₃N₄O₇*C₂HF₃O₂ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 1626 - 1642

56
[ 82317-83-7 ]
C₂₀H₂₄F₃N₆O₃Pol [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

57
[ 82317-83-7 ]
tert-butyl (S)-2-(((S)-1-(benzyl(methyl)amino)-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)carbamoyl)piperidine-1-carboxylate [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

58
[ 82317-83-7 ]
(S)-1-((R)-2-azidobutanoyl)-N-((S)-1-(benzyl(methyl)amino)-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)piperidine-2-carboxamide [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

59
[ 82317-83-7 ]
3-(1-((R)-1-((S)-2-(((S)-1-(benzyl(methyl)amino)-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)carbamoyl)piperidin-1-yl)-1-oxobutan-2-yl)-1H-1,2,3-triazol-4-yl)benzoic acid [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

60
[ 82317-83-7 ]
tert-butyl (S)-2-(((S)-1-((3,4-dimethoxybenzyl)amino)-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)carbamoyl)piperidine-1-carboxylate [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

61
[ 82317-83-7 ]
(S)-1-((R)-2-azidobutanoyl)-N-((S)-1-((3,4-dimethoxybenzyl)amino)-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)piperidine-2-carboxamide [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

62
[ 82317-83-7 ]
(S)-N-((S)-1-((3,4-dimethoxybenzyl)amino)-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)-1-((R)-2-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)butanoyl)piperidine-2-carboxamide [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

63
[ 82317-83-7 ]
tert-butyl (S)-2-(((S)-1-morpholino-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)carbamoyl)piperidine-1-carboxylate [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

64
[ 82317-83-7 ]
(S)-1-((R)-2-azidobutanoyl)-N-((S)-1-morpholino-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)piperidine-2-carboxamide [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

65
[ 82317-83-7 ]
(S)-1-((R)-2-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)butanoyl)-N-((S)-1-morpholino-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)piperidine-2-carboxamide [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

66
[ 82317-83-7 ]
(S)-1-((R)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)butanoyl)-N-((S)-1-morpholino-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)piperidine-2-carboxamide [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

67
[ 5763-61-1 ]
[ 82317-83-7 ]
tert-butyl (S)-(1-((3,4-dimethoxybenzyl)amino)-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)carbamate [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

68
[ 110-91-8 ]
[ 82317-83-7 ]
tert-butyl (S)-(1-morpholino-1-oxo-3-(4-(trifluoromethyl)phenyl)propan-2-yl)carbamate [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

69
[ 101555-63-9 ]
[ 82317-83-7 ]
[ 170642-27-0 ]
(4-carbamoyl-benzyl)-carbamic acid 9H-fluoren-9-ylmethyl ester [ No CAS ]
C₂₈H₃₃F₃N₅O₄Pol [ No CAS ]

Reference： [1],2020

70
[ 101555-63-9 ]
[ 82317-83-7 ]
[ 170642-27-0 ]
(2-carbamoyl-ethyl)-carbamic acid 9H-fluoren-9-ylmethyl ester [ No CAS ]
C₂₃H₃₁F₃N₅O₄Pol [ No CAS ]

Reference： [1],2020

71
C₂₀H₂₂N₂O₃ [ No CAS ]
[ 82317-83-7 ]
C₁₅H₁₉F₃N₃O₂Pol [ No CAS ]

Reference： [1]ACS Combinatorial Science,2020

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 82317-83-7 ] {[proInfo.proName]}

Quality Control of [ 82317-83-7 ]

Related Doc. of [ 82317-83-7 ]

Product Details of [ 82317-83-7 ]

Safety of [ 82317-83-7 ]

Application In Synthesis of [ 82317-83-7 ]

[ 82317-83-7 ] Synthesis Path-Downstream 1~71

Related Functional Groups of [ 82317-83-7 ]

Amino Acid Derivatives

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 82317-83-7 ]