[ CAS No. 62451-84-7 ] {[proInfo.proName]}

Name: 62451-84-7|Methyl 2-(3-(trifluoromethyl)phenyl)acetate|97%
Brand: Ambeed
SKU: A234871
Price: 14.0 USD
Availability: InStock
Rating: 94 (28 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 62451-84-7

Structure of 62451-84-7 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 62451-84-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 62451-84-7 ]

SDS Specification

Alternatived Products of [ 62451-84-7 ]

Product Details of [ 62451-84-7 ]

CAS No. :	62451-84-7	MDL No. :	MFCD04039762
Formula :	C₁₀H₉F₃O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GMEBDKGPPKAPEM-UHFFFAOYSA-N
M.W :	218.17	Pubchem ID :	2734603
Synonyms :

Calculated chemistry of [ 62451-84-7 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.3
Num. rotatable bonds :	4
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	47.31
TPSA :	26.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.54 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.34
Log Po/w (XLOGP3) :	2.95
Log Po/w (WLOGP) :	3.57
Log Po/w (MLOGP) :	2.99
Log Po/w (SILICOS-IT) :	3.1
Consensus Log Po/w :	2.99

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.08
Solubility :	0.18 mg/ml ; 0.000826 mol/l
Class :	Soluble
Log S (Ali) :	-3.16
Solubility :	0.149 mg/ml ; 0.000684 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.77
Solubility :	0.0369 mg/ml ; 0.000169 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.78

Safety of [ 62451-84-7 ]

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 [ 62451-84-7 ]

* 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.

Upstream synthesis route of [ 62451-84-7 ]
Downstream synthetic route of [ 62451-84-7 ]

[ 62451-84-7 ] Synthesis Path-Upstream 1~12

1
[ 62451-84-7 ]
[ 455-01-6 ]

Reference： [1] Chemistry - A European Journal, 2015, vol. 21, # 42, p. 14737 - 14741
[2] Journal of the American Chemical Society, 1977, vol. 99, # 9, p. 3059 - 3067

2
[ 67-56-1 ]
[ 351-35-9 ]
[ 62451-84-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	Heating / reflux	To a solution of (3-Trifluoromethyl-phenyl)-acetic acid in methanol (1200 mL) was added concentrated sulfuric acid (50 mL). The mixture was heated at reflux overnight. The solution was concentrated in vacuo and water (600 mL) was added to the residue. The solution was extracted with ethyl acetate (3.x.400 mL) and the organic layer was washed with water. The solution was dried over anhydrous sodium sulfate and purified with column chromatography (ethyl acetate: petroleum ether=1:20) to give the product (108 g, 100percent) as a yellow oil.

Reference： [1] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 13, p. 2843 - 2866
[2] Patent: US2005/234046, 2005, A1, . Location in patent: Page/Page column 97
[3] Helvetica Chimica Acta, 1971, vol. 54, p. 868 - 897
[4] Tetrahedron Letters, 2018, vol. 59, # 22, p. 2161 - 2166
[5] Patent: US2479295, 1946, ,

3
[ 30359-53-6 ]
[ 62451-84-7 ]

Reference： [1] Patent: US4426536, 1984, A,
[2] Patent: US4426536, 1984, A,
[3] Patent: US4426536, 1984, A,

4
[ 401-78-5 ]
[ 96-34-4 ]
[ 62451-84-7 ]

Reference： [1] Tetrahedron, 2007, vol. 63, # 5, p. 1146 - 1153

5
[ 67-56-1 ]
[ 349-75-7 ]
[ 201230-82-2 ]
[ 616-38-6 ]
[ 62451-84-7 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 5, p. 969 - 972

6
[ 705-29-3 ]
[ 62451-84-7 ]

Reference： [1] Journal of the American Chemical Society, 1977, vol. 99, # 9, p. 3059 - 3067
[2] Helvetica Chimica Acta, 1971, vol. 54, p. 868 - 897

7
[ 2338-76-3 ]
[ 62451-84-7 ]

Reference： [1] Journal of the American Chemical Society, 1977, vol. 99, # 9, p. 3059 - 3067

8
[ 351-35-9 ]
[ 62451-84-7 ]

Reference： [1] Angewandte Chemie - International Edition, 2012, vol. 51, # 2, p. 548 - 551

9
[ 186581-53-3 ]
[ 351-35-9 ]
[ 62451-84-7 ]

Reference： [1] Journal of the American Chemical Society, 1977, vol. 99, # 9, p. 3059 - 3067

10
[ 349-75-7 ]
[ 62451-84-7 ]

Reference： [1] Helvetica Chimica Acta, 1971, vol. 54, p. 868 - 897

11
[ 454-92-2 ]
[ 62451-84-7 ]

Reference： [1] Helvetica Chimica Acta, 1971, vol. 54, p. 868 - 897

12
[ 67-56-1 ]
[ 1360789-05-4 ]
[ 62451-84-7 ]

Reference： [1] Angewandte Chemie - International Edition, 2012, vol. 51, # 2, p. 548 - 551

[ 62451-84-7 ] Synthesis Path-Downstream 1~79

1
[ 67-56-1 ]
[ 351-35-9 ]
[ 62451-84-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	With sulfuric acid;Heating / reflux;	To a solution of (3-Trifluoromethyl-phenyl)-acetic acid in methanol (1200 mL) was added concentrated sulfuric acid (50 mL). The mixture was heated at reflux overnight. The solution was concentrated in vacuo and water (600 mL) was added to the residue. The solution was extracted with ethyl acetate (3×400 mL) and the organic layer was washed with water. The solution was dried over anhydrous sodium sulfate and purified with column chromatography (ethyl acetate: petroleum ether=1:20) to give the product (108 g, 100%) as a yellow oil.
95%	With thionyl chloride; at 20℃;	To a stirred solution of 2- (3- (trifluoromethyl) phenyl) acetic acid (5.0 g, 24.5 mmol) in MeOH (50 mL) was added SOCl2(2 mL) in drops at rt and the resulting mixture was stirred for 3 hrs. The mixture was concentrated, diluted with EA (50 mL) , washed with aqueous solution of NaHCO3(50 mL x 2) , brine (50 mL x 2) , dried over Na2SO4and concentrated to give the title product (5.05 g, 95%) as a light yellow oil. MS: M/e 219 (M+1)+.

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 2843 - 2866
[2]Patent: US2005/234046,2005,A1 .Location in patent: Page/Page column 97
[3]Patent: WO2020/20097,2020,A1 .Location in patent: Paragraph 0320-0322
[4]Helvetica Chimica Acta,1971,vol. 54,p. 868 - 897
[5]Tetrahedron Letters,2018,vol. 59,p. 2161 - 2166
[6]Patent: US2479295,1946,
[7]Angewandte Chemie - International Edition,2019,vol. 58,p. 13335 - 13339
Angew. Chem.,2019,vol. 131,p. 13469 - 13473,5

2
[ 62451-84-7 ]
[ 74-88-4 ]
[ 254895-41-5 ]

Reference： [1]Helvetica Chimica Acta,1971,vol. 54,p. 868 - 897

3
[ 553-90-2 ]
[ 62451-84-7 ]
[ 138485-29-7 ]

Reference： [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 599 - 604

4
[ 62451-84-7 ]
[ 616-38-6 ]
[ 138485-29-7 ]

Reference： [1]Journal of Fluorine Chemistry,1992,vol. 59,p. 225 - 232
[2]Angewandte Chemie - International Edition,2015,vol. 54,p. 14447 - 14451
Angew. Chem.,2016,vol. 127,p. 14655 - 14659,5

5
[ 62451-84-7 ]
[ 1141-88-4 ]
[ 131602-94-3 ]
[ 137-07-5 ]

Reference： [1]Synthesis,1990,p. 911 - 914

6
[ 186581-53-3 ]
[ 351-35-9 ]
[ 62451-84-7 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

7
[ 62451-84-7 ]
[ 455-01-6 ]

Reference： [1]Chemistry - A European Journal,2015,vol. 21,p. 14737 - 14741
[2]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

8
[ 62451-84-7 ]
[ 106-95-6 ]
[ 619323-19-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 2843 - 2866

9
[ 62451-84-7 ]
[ 756-79-6 ]
[ 73718-79-3 ]

Reference： [1]Bioorganic and medicinal chemistry letters,2004,vol. 14,p. 1655 - 1659

10
[ 401-78-5 ]
[ 96-34-4 ]
[ 62451-84-7 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 1146 - 1153

12
[ 62451-84-7 ]
7-((2R)-2-{(1E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-buten-1-yl}-5-oxo-1-pyrrolidinyl)heptanoic acid [ No CAS ]

Reference： [1]Bioorganic and medicinal chemistry letters,2004,vol. 14,p. 1655 - 1659

13
[ 62451-84-7 ]
[ 533893-84-4 ]

Reference： [1]Bioorganic and medicinal chemistry letters,2004,vol. 14,p. 1655 - 1659

14
[ 62451-84-7 ]
7-{(R)-2-[(E)-(R)-3-Hydroxy-4-(3-trifluoromethyl-phenyl)-but-1-enyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid ethyl ester [ No CAS ]

Reference： [1]Bioorganic and medicinal chemistry letters,2004,vol. 14,p. 1655 - 1659

15
[ 62451-84-7 ]
[ 533893-74-2 ]

Reference： [1]Bioorganic and medicinal chemistry letters,2004,vol. 14,p. 1655 - 1659

16
[ 62451-84-7 ]
[ 619323-46-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 2843 - 2866

17
[ 62451-84-7 ]
5-methyl-3-(3-trifluoromethyl-phenyl)-5<i>H</i>-furan-2-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 2843 - 2866

18
[ 62451-84-7 ]
[ 619254-70-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 2843 - 2866

19
[ 62451-84-7 ]
[ 150360-28-4 ]

Reference： [1]Journal of Fluorine Chemistry,1992,vol. 59,p. 225 - 232

20
[ 62451-84-7 ]
methyl α-(m-trifluoromethylphenyl)propionate [ No CAS ]

Reference： [1]Journal of Fluorine Chemistry,1992,vol. 59,p. 225 - 232

21
[ 62451-84-7 ]
[ 145983-07-9 ]

Reference： [1]Journal of Fluorine Chemistry,1992,vol. 59,p. 225 - 232

22
[ 62451-84-7 ]
2-Methyl-2-(3-trifluoromethyl-phenyl)-malonic acid dimethyl ester [ No CAS ]

Reference： [1]Journal of Fluorine Chemistry,1992,vol. 59,p. 225 - 232

23
[ 62451-84-7 ]
[ 138485-61-7 ]

Reference： [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 599 - 604

24
[ 62451-84-7 ]
[ 138485-34-4 ]

Reference： [1]European Journal of Medicinal Chemistry,1991,vol. 26,p. 599 - 604

25
[ 62451-84-7 ]
[ 1997-80-4 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

26
[ 62451-84-7 ]
[ 63035-56-3 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067
[2]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

27
[ 62451-84-7 ]
[ 63035-58-5 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067
[2]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

28
[ 62451-84-7 ]
[ 21172-31-6 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067
[2]Tetrahedron Letters,2018,vol. 59,p. 2161 - 2166

29
[ 62451-84-7 ]
[ 63035-57-4 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067
[2]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

30
[ 62451-84-7 ]
2-(3-Trifluormethylphenyl)aethyltriphenylphosphonium-Ion [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

31
[ 705-29-3 ]
[ 62451-84-7 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067
[2]Helvetica Chimica Acta,1971,vol. 54,p. 868 - 897

32
[ 2338-76-3 ]
[ 62451-84-7 ]

Reference： [1]Journal of the American Chemical Society,1977,vol. 99,p. 3059 - 3067

33
[ 349-75-7 ]
[ 62451-84-7 ]

Reference： [1]Helvetica Chimica Acta,1971,vol. 54,p. 868 - 897

34
[ 454-92-2 ]
[ 62451-84-7 ]

Reference： [1]Helvetica Chimica Acta,1971,vol. 54,p. 868 - 897

35
[ 62451-84-7 ]
[ 866787-54-4 ]

Yield	Reaction Conditions	Operation in experiment
34%	With trifluoromethylsulfonic anhydride; tetramethylammonium nitrate; In dichloromethane; at 20℃;Heating / reflux;	To a solution of (3-Trifluoromethyl-phenyl)-acetic acid methyl ester (14.9 g, 0.068 mol, 1.0 eqiv.) and Me4NNO3 (13.9 g, 0.102 mol, 1.5 eqiv.) in dichloromethane (100 mL) was added dropwise (CF3SO2)2O (28.9 g, 0.102 mol, 1.5 eqiv.) in dichloromethane (50 mL). The mixture was stirred for 2 h at room temperature and heated to reflux overnight. The solution was neutralized with saturated sodium hydrogen carbonate and the organic layer was washed with water. The solution was dried over anhydrous magnesium sulfate and concentrated in vacuo to afford the title compound (6.1 g, 34%) as yellow oil.

Reference： [1]Patent: US2005/234046,2005,A1 .Location in patent: Page/Page column 97

36
[ 107-31-3 ]
[ 62451-84-7 ]
methyl 3-hydroxy-2-(α,α,α-trifluoro-m-tolyl)acrylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium; In diethyl ether;	(aa) 26.2 g of methyl 3-trifluoromethylphenylacetate were dissolved in 100 ml of diethyl ether and, after the addition of 8.2 ml of methyl formate, treated with 2.76 g of sodium. The mixture was stirred at room temperature until the reaction was completed and treated with 1N hydrochloric acid while cooling. The organic phase was separated and the aqueous phase was extracted twice with ether. The combined organic phases were washed with saturated sodium chloride solution, dried over sodium sulfate, filtered and evaporated. Distillation yielded methyl 3-hydroxy-2-(alpha,alpha,alpha-trifluoro-m-tolyl)acrylate as a colorless oil of b.p. 59-62/0.2 mm.

Reference： [1]Patent: US4735940,1988,A

37
[ 62451-84-7 ]
[ 140-29-4 ]
[ 89768-05-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium methylate; In methanol; ice-water; toluene;	Preparation 1 1-Cyano-1-phenyl-3-(3-trifluoromethylphenyl)-2-propanone To a flame-dried flask was added 8.1 g. of sodium methoxide, 125 ml. of toluene and 21 ml. of methanol. The mixture was brought to reflux at 85-87, and to it was added dropwise a mixture of 22.8 g. of <strong>[62451-84-7]methyl (3-trifluoromethylphenyl)acetate</strong> and 12.9 g. of phenylacetonitrile. The apparatus was then set up for distillation, and the mixture was heated to 110, removing about 46 ml. of distillate. The mixture was then cooled to about 12, and to it was added 50 ml. of ice-water. The aqueous layer was removed and washed with 20 ml. of cold toluene. The organics were combined and washed with cold water. The aqueous layers were combined, and the pH was adjusted to 3.5 with cold hydrochloric acid. The oily product was collected by extracting the aqueous portion with three 40 ml. portions of dichloromethane, drying the organic layer over sodium sulfate and evaporating it under vacuum to obtain 30.5 g. of oil, which was 89% pure product by vapor phase chromatography.

Reference： [1]Patent: US4426536,1984,A

38
[ 30359-53-6 ]
[ 62451-84-7 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; sulfuric acid; In methanol; water;	Example 9 Methyl 3-trifluoromethylphenylacetate Fifty ml. of methanol, 4.9 g. of sodium hydroxide and 6.0 g. of 1,1,1-trichloro-2-(3-trifluoromethylphenyl)ethane were combined, and stirred under reflux for 6 hours. The mixture was cooled overnight, and was then made acid with 2.5 ml. of concentrated sulfuric acid. It was stirred under reflux for 1 hour more, cooled and filtered. The solids were washed with 100 ml. of methanol. Thirty ml. of water was added to the filtrate, and the aqueous layer was separated and washed 3 times with 20 ml. portions of dichloromethane. All of the organics were combined, and washed with two 15 ml. portions each of water and saturated sodium chloride. The organics were then dried over sodium sulfate and evaporated under vacuum to obtain 4.6 g. of an oil, which was found to contain 94% of the desired product by vapor phase chromatography. The process was repeated, using a different lot of the trichloro compound, to obtain 4.3 g. of oil, 94% pure.
	With potassium hydroxide; sulfuric acid; In methanol; dichloromethane; water;	Example 12 Methyl (3-trifluoromethylphenyl)acetate Seventy ml. of methanol was combined with 10.7 g. of 86% pure potassium hydroxide and the mixture was stirred for 0.5 hour. To it was added 8.0 g. of 1,1,1-trichloro-2-(3-trifluoromethylphenyl)ethane over 3-4 minutes. The mixture was heated and stirred under reflux at 68 for 4.75 hours, cooled to 10 and made acid with 8 ml. of concentrated sulfuric acid. The mixture was then stirred under reflux for 45 minutes more, and cooled to ambient temperature overnight. To it was then added 100 ml. of water and 50 ml. of dichloromethane. The aqueous layer was extracted with two 40 ml. portions of dichloromethane, and the organics were combined, dried over sodium sulfate and concentrated under vacuum to obtain 5.7 g. of brown oil, found to be 96.6% pure product by vapor phase chromatography. The product was further purified by distillation at 70-73 under 1.3 torr to obtain 4.89 g. of more highly purified product.
	With sulfuric acid; In methanol; dichloromethane; water;	Example 10 Methyl (3-trifluoromethylphenyl)acetate A 3.36 g. portion of flaked sodium hydroxide was slurried in 33 ml. of methanol and 1 ml. of water, and the mixture was warmed to dissolve most of the base. It was then cooled to ambient temperature and to it was added over 2-3 minutes 4 g. of 1,1,1-trichloro-2-(3-trifluoromethylphenyl)ethane. The mixture was then stirred under reflux at 70 for 4 hours, and was then cooled to 5. To it was added about 3 ml. of concentrated sulfuric acid. A little more methanol was added to increase the fluidity of the mixture, and the mixture was stirred under reflux again for 45 minutes more. It was then cooled to ambient temperature, and diluted with about 60 ml. of water. A 35 ml. portion of dichloromethane was added, the layers were separated, and the aqueous layer was extracted with three 25 ml. portions of dichloromethane. All of the organics were combined and washed twice with 15 ml. portions of water, dried over sodium sulfate and concentrated to dryness under vacuum to obtain 2.75 g. of product, found to be 80% pure by vapor phase chromatography.

Reference： [1]Patent: US4426536,1984,A
[2]Patent: US4426536,1984,A
[3]Patent: US4426536,1984,A

39
[ 62451-84-7 ]
[ 3802-78-6 ]

Yield	Reaction Conditions	Operation in experiment
39%	With N-Bromosuccinimide; hydrogen bromide; In chloroform; for 48h;Heating / reflux;	EXAMPLE 98; 4-[2-Methoxy-1-(3-trifluoromethyl-phenyl)-ethyl]-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide; Step 1: A mixture of <strong>[62451-84-7](3-trifluoromethyl-phenyl)-acetic acid methyl ester</strong> (6.0 g, 25.9 mmol) and N-bromosuccinimide (9.2 g, 51.7 mmol) and a few drops of hydrobromic acid (48% solution) in chloroform (250 mL) was heated under reflux for two days. The reaction mixture was concentrated to dryness, taken up in methylene chloride and loaded onto a column of silica gel. Elution with 5% ethyl acetate/hexanes gave Bromo-<strong>[62451-84-7](3-trifluoromethyl-phenyl)-acetic acid methyl ester</strong> (3.0 g, 39% yield) as colorless oil. The NMR spectrum obtained on the sample is compatible with its structure.
	With N-Bromosuccinimide; In tetrachloromethane; diethyl ether-water;	To the solution of 21.8 g of methyl m-trifluoromethylphenylacetate in 450 ml of carbon tetrachloride a portion of 18.7 g of N-bromosuccinimide is added along with several drops of triethylamine and a pinch of azobisisobutyronitrile. The mixture is warmed to reflux with a 250 watt incandescent bulb and a precipitate is formed. Thereupon the reminder of N-bromosuccinimide is added, the light removed and the solution stirred for 3 hours. It is cooled in an ice bath and the solid formed removed by filtration. The filtrate is evaporated the residue dissolved in diethyl ether-water and the organic phase washed with aqueous sodium bicarbonate and water. It is dried, evaporated, the residue distilled and the fraction boiling at 85-88/0.4 mmHg collected, to yield the methyl alpha-bromo-m-trifluoromethylphenylacetate.
	With N-Bromosuccinimide; In tetrachloromethane; diethyl ether-water;	To the solution of 21.8 g of methyl m-trifluoromethylphenylacetate in 450 ml of carbon tetrachloride a portion of 18.7 g of N-bromosuccinimide is added along with several drops of triethylamine and a pinch of azobisisobutyronitrile. The mixture is warmed to reflux with a 250 watt incandescent bulb and a precipitate is formed. Thereupon the remainder of N-bromosuccinimide is added, the light removed and the solution stirred for 3 hours. It is cooled in an ice bath and the solid formed removed by filtration. The filtrate is evaporated the residue dissolved in diethyl ether-water and the organic phase washed with aqueous sodium bicarbonate and water. It is dried, evaporated, the residue distilled and the fraction boiling at 85-88/0.4 mmHg collected, to yield the methyl alpha-bromo-m-trifluoromethylphenylacetate.

With N-Bromosuccinimide; hydrogen bromide; acetic acid; In tetrachloromethane; for 4h;Reflux;

To a stirred solution of methyl 2- (3- (trifluoromethyl) phenyl) acetate (2.0 g, 9.2 mmol) in CCl4(20 mL) was added NBS (1.9 g, 10.7 mmol) and followed by HBr/AcOH (3 drops) . The resulting mixture was refluxed for 4 hrs. The mixture was filtered and the filtrate was concentrated, diluted with EA (30 mL) , washed with brine (20 mL x 2) , dried over Na2SO4and concentrated to give the title product (2.36 g, crude) as a light yellow oil. MS: M/e 297, 299 (M+1)+.

Reference： [1]Patent: US2007/270433,2007,A1 .Location in patent: Page/Page column 49
[2]Patent: US4197302,1980,A
[3]Patent: US4202901,1980,A
[4]Patent: WO2020/20097,2020,A1 .Location in patent: Paragraph 0320; 0323-0324

40
[ 62451-84-7 ]
[ 71792-93-3 ]

Reference： [1]Tetrahedron,2008,vol. 64,p. 8630 - 8637

41
[ 24424-99-5 ]
[ 62451-84-7 ]
[ 1104643-45-9 ]

Reference： [1]Tetrahedron,2009,vol. 65,p. 134 - 138

42
[ 62451-84-7 ]
[ 1123196-19-9 ]

Yield	Reaction Conditions	Operation in experiment
		Synthesis of 1-amino-3-(3-trifluoromethylphenyl)piperidin-2-one 282.7 mg of the title compound was obtained using methyl 3-(trifluoromethyl)phenylacetate (1 g) as a starting material according to the method in Examples 20 and 21. The property value of the compound is as follows. ESI-MS; m/z 259 [M++H].

Reference： [1]Patent: EP2181992,2010,A1

43
[ 62451-84-7 ]
methyl 2-(3-trifluoromethylphenyl)-2-diazoacetate [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2010,vol. 132,p. 9289 - 9291

44
[ 62451-84-7 ]
[ 1280732-89-9 ]

Yield	Reaction Conditions	Operation in experiment
		Step 1: 2-(3-Trifluoromethyl-benzyl)-[1,3,4]oxadiazole (3-Trifluoromethyl-phenyl)-acetic acid methyl ester (0.720 g, 3.30 mmol) was dissolved in hydrazine (7 mL) and EtOH (15 mL) and heated to 90 C. overnight. Analytical LCMS indicated complete reaction so the mixture was concentrated and azeotroped twice with toluene. The crude material was dissolved in triethylorthoformate and heated to 135 C. for 20 hours then allowed to cool. The reaction mixture was concentrated to afford the title compound.

Reference： [1]Patent: US2011/82164,2011,A1 .Location in patent: Page/Page column 29

45
[ 67-56-1 ]
[ 1360789-05-4 ]
[ 62451-84-7 ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 548 - 551

46
[ 351-35-9 ]
[ 62451-84-7 ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 548 - 551

47
[ 5332-26-3 ]
[ 62451-84-7 ]
[ 1361319-26-7 ]