141179-72-8|4-Fluoro-2-(trifluoromethyl)benzoic acid| Ambeed

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Quality Control of [ 141179-72-8 ] Purity: 98% SDS Specification

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Product Details of [ 141179-72-8 ]

CAS No. :	141179-72-8
Formula :	C₈H₄F₄O₂
M.W :	208.11
SMILES Code :	O=C(O)C1=CC=C(F)C=C1C(F)(F)F
MDL No. :	MFCD00040982
InChI Key :	JUHPDXOIGLHXTC-UHFFFAOYSA-N
Pubchem ID :	688255

Safety of [ 141179-72-8 ]

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

Computational Chemistry of [ 141179-72-8 ] Show Less

Physicochemical Properties

Num. heavy atoms	14
Num. arom. heavy atoms	6
Fraction Csp3	0.12
Num. rotatable bonds	2
Num. H-bond acceptors	6.0
Num. H-bond donors	1.0
Molar Refractivity	38.36
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	37.3 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.32
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	2.43
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	4.12
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	3.09
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	2.69
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	2.73

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-2.85
Solubility	0.296 mg/ml ; 0.00142 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-2.86
Solubility	0.29 mg/ml ; 0.00139 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-2.94
Solubility	0.237 mg/ml ; 0.00114 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-5.84 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	0.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.56

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.6

Application In Synthesis of [ 141179-72-8 ]

* 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 [ 141179-72-8 ]

[ 141179-72-8 ] Synthesis Path-Downstream 1~35

1
[ 624-92-0 ]
[ 141179-72-8 ]
4-fluoro-6-methylsulfanyl-2-trifluoromethylbenzoic acid [ No CAS ]
4-fluoro-5-methylsulfanyl-2-trifluoromethylbenzoic acid [ No CAS ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1995,p. 1265 - 1272.

2
[ 141179-72-8 ]
[ 241157-10-8 ]
C₄₃H₆₈F₃N₃O₁₁ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1373 - 1375.

3
[ 141179-72-8 ]
[ 189807-21-4 ]

Yield	Reaction Conditions	Operation in experiment
91.3%	With oxalyl dichloride; In dichloromethane; at 0 - 25℃; for 0.5h;	General procedure: The purchased acids (14.40 mmol) was added into 5 mL DCM andcooled to 0 C. After the oxalyl chloride (1.50 mL, 17.30 mmol) was added drop wise, the mixture was removed to room temperature and stirred for 30 min. The solvent was evaporated for use.To a cooled solution of 5 (3.70 g, 17.30 mmol) in 20 mL DCM wasadded Et3N (3.00 mL, 21.60 mmol) then the prepared chloride wasadded drop wise. The mixture was stirred at room temperature for 1 h.The solvent was evaporated under reduced pressure and the residuewas purification by column chromatography with dichloromethane/methanol as eluent on silica gel to give the derivatives7a-7h.4.1.3.1. Tert-butyl-4-(4-fluoro-N-methyl-2-(trifluoromethyl) benzamido)piperidine-1-carboxylate (7a). Colorless oil, yield: 91.3%. Majorrotamer: 1H NMR (300 MHz, CDCl3) delta (ppm): 7.44-7.39 (m, 1H,ArH), 7.32-7.29 (m, 2H, ArH), 4.73 (m, 1H, CH3NCH), 4.25 (m, 2H,BocNCH2), 2.88-2.82 (m, 2H, BocNCH2), 2.63 (s, 3H, NCH3), 1.79-1.63(m, 4H, CH3N(CH2)2), 1.46 (s, 9H, Boc-H). Minor rotamer: 1H NMR(300 MHz, CDCl3) delta (ppm): 7.44-7.39 (m, 1H, ArH), 7.32-7.29 (m, 2H,ArH), 4.15-4.11 (m, 2H, BocNCH2), 3.23 (s, 1H, CH3NCH), 2.98 (s, 3H,NCH3), 2.51-2.35 (m, 2H, BocNCH2), 1.79-1.63 (m, 4H, CH3N(CH2)2),1.43 (s, 9H, Boc-H).
	With thionyl chloride; for 2h;Heating / reflux;	4-Fluoro-2- (trifluoromethyl) benzoic acid (2. 0G) was dissolved in thionyl chloride (20ML) and heated at reflux for 2h. The reaction was then cooled and evaporated (co- evaporated with DCM x 3) and then dissolved in DCM (50ML). This solution was added slowly to 1-tert-butoxy-carbonylpiperazine (1.62g), and TEA (2. 54ML), dissolved in DCM (50ML). The reaction was then stirred at rt for 2h before being washed with 1 N HCI (2X100M1), saturated sodium hydrogen carbonate (2X100ML) and brine (50ML). The organic layer was dried (MgSO4) and evaporated to give the title compound (D23) (3. 09G).
	With oxalyl dichloride; N,N-dimethyl-formamide; In hexane; dichloromethane; at 20℃; for 18h;	REFERENCE EXAMPLE 1 (4-Fluoro-2-trifluoromethyl-phenyl)-(5H,11H-pyrrolo[2,1-c] [1,4]benzodiazepin-10-yl)-methanone oxalyl chloride (2.0 g) was added to a suspension of <strong>[141179-72-8]4-fluoro-2-trifluoromethylbenzoic acid</strong> (2.0 g) in dichloromethane (25 ml).. Two drops of dimethylformamide were added and the mixture was stirred for 18 hours at room temperature.. The resultant solution was evaporated to dryness to give the crude acid chloride.. This was redissolved in dichloromethane and filtered.. Evaporation of this material gave a liquid which was then redissolved in hexane, filtered, and evaporated to yield the acid chloride as a pale yellow viscous liquid, which was used without further purification. The acid chloride (2.26 g) in dichloromethane (25 ml) was added portionwise to a mixture of 10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine (1.66 g), dichloromethane (10 ml), and diisopropylethylamine (1.30 g), cooled in an ice bath.. After remaining at room temperature for 18 hours, the reaction mixture was washed with water and saturated aqueous sodium bicarbonate.. The dichloromethane solution was dried over anhydrous sodium sulfate and filtered through a short column of hydrous sodium magnesium silicate and further eluted with several volumes of dichloromethane.. The combined organic phase was concentrated on a hot plate with the gradual addition of hexane until crystallization occurred.. After cooling, the crystals were collected by filtration to yield 2.57 g of the title compound, m.p. 154-155 C.

	With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;Heating / reflux;	A suspension of <strong>[141179-72-8]2-trifluoromethyl-4-fluorobenzoic acid</strong> (16.85 g, 81 mmol) in dichloromethane (150 mL) containing a few drops of dimethylformamide was treated dropwise under nitrogen with oxalyl chloride (8.5 mL, 97.4 mmol). After the gas evolution subsided, the reaction mixture was refluxed for an additional 10 minutes, and then evaporated to dryness in vacuo. The crude acid chloride was used as such in the next step
	With oxalyl dichloride;N,N-dimethyl-formamide; In dichloromethane; at 20℃; for 18h;	Oxalyl chloride (2.0 g) was added to a suspension of <strong>[141179-72-8]4-fluoro-2-trifluoromethylbenzoic acid</strong> (2.0 g) in dichloromethane (25 ml). Two drops of dimethylformamide were added and the mixture was stirred for 18 hours at room temperature. The resultant solution was evaporated to dryness to give the crude acid chloride. This was redissolved in dichloromethane and filtered. Evaporation of this material gave a liquid which was then redissolved in hexane, filtered, and evaporated to yield the acid chloride as a pale yellow viscous liquid, which was used without further purification.
	With oxalyl dichloride;N,N-dimethyl-formamide; In dichloromethane; at 20℃; for 3h;	Preparation Example 11 DMF (3 drops) and oxalyl chloride (2.55 ml) were added to a mixture of <strong>[141179-72-8]4-fluoro-2-(trifluoromethyl)benzoic acid</strong> (5.50 g) and dichloromethane (50 ml), followed by stirring at room temperature for 3 hours. The reaction solution was added dropwise to a 2M methylamine-THF solution (17.3 ml) and a solution of triethylamine (5.55 ml) in dichloromethane (50 ml) under ice cooling, followed by stirring for 30 minutes and concentration under reduced pressure, addition of water and extraction with ethyl acetate. The organic layer was washed with water, saturated aqueous sodium bicarbonate solution and then saturated brine in this order, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was washed with diisopropylether to obtain 4-fluoro-N-methyl-2-(trifluoromethyl)benzamide (4.37 g) as a white solid.
	With thionyl chloride; N,N-dimethyl-formamide; In ethyl acetate; at 70℃; for 3h;	4-Fluoro-2-(trifluoromethyl)benzoic acid (150 g), ethyl acetate (1200 mL), N,N-dimethylformamide (2.78 mL), and thionyl chloride (78.9 mL) were mixed, followed by stirring at 70 C for 3 hours. The solvent of this reaction mixture was evaporated under reduced pressure to obtain a residue containing 4-fluoro-2-(trifluoromethyl)benzoyl chloride. To the obtained residue were added acetonitrile (450 mL) and pyridine (291 mL), and 2-propanol (450 mL) was added dropwise thereto, followed by stirring at room temperature for 30 minutes. This mixture was subjected to a liquid separation operation by addition of toluene (600 mL) and water (600 mL), followed by extraction by addition of toluene (600 mL) to the aqueous layer. The obtained organic layers were combined, washed with 3 M hydrochloric acid (1200 mL), and then further washed with a solution of sodium chloride (150 g) and water (900 mL), and the solvent was evaporated therefrom under reduced pressure to obtain isopropyl 4-fluoro-2-(trifluoromethyl)benzoate (165 g) in a yield of 91.5%. 1H-NMR (CDCl3): 1.37 (6H, d, J = 6.0 Hz), 5.20-5.30 (1H, m), 7.28-7.31 (1H, m), 7.44 (1H, dd, J = 2.4, 9.2 Hz), 7.82 (1H, dd, J = 5.6, 8.8 Hz)
	With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20℃; for 0.5h;	2-Trifluoromethyl-4-fluorobenzoic acid (VII-1) (3.00 g, 14.40 mmol) was dissolved in dichloromethane (5.00 mL).Add 2 drops of DMF and cool to 0 C.Add oxalyl chloride (1.50 ml, 17.30 mmol),Displaced at room temperature for 30 min,The dichloromethane was spun dry to give the acid chloride.

References: [1]Bioorganic and medicinal chemistry,2020,vol. 28.
[2]Chemical and Pharmaceutical Bulletin,2004,vol. 52,p. 818 - 829.
[3]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.
[4]Patent: WO2004/37800,2004,A1 .Location in patent: Page 24.
[5]Patent: EP1000062,2004,B1 .Location in patent: Page 31.
[6]Patent: EP1000059,2004,B1 .Location in patent: Page 30.
[7]Patent: US6831079,2004,B1 .Location in patent: Page/Page column 36.
[8]Patent: EP2298747,2011,A1 .Location in patent: Page/Page column 25.
[9]Patent: EP2860175,2015,A1 .Location in patent: Paragraph 0121;0122.
[10]Patent: CN109734700,2019,A .Location in patent: Paragraph 0072; 0080; 0081.

4
[ 98946-18-0 ]
[ 141179-72-8 ]
[ 888022-82-0 ]

Yield	Reaction Conditions	Operation in experiment
	With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 - 20℃; for 18h;	Reference example 1 tert-Butyl 4-fluoro-2-trifluoromethylbenzoate To a solution of <strong>[141179-72-8]4-fluoro-2-trifluoromethylbenzoic acid</strong> (5.00 g) in tetrahydrofuran (72.0 mL) were successively added tert-butyl 2,2,2-trichloroacetoimidate (8.18mL) and boron trifluoride diethyl ether complex (0.304 mL) under ice-cooling, and the reaction mixture was stirred at room temperature for 18 hours. To the reaction mixture was added 1 mol/L aqueous solution of sodium hydroxide and the mixture was extracted with ethyl acetate. The organic layer was washed with 1 mol/L aqueous solution of sodium hydroxide, water, brine, and dried over anhydrous magnesium sulfate. After filtration, the filtrate was concentrated under reduced pressure. To this residue were added diisopropyl ether-hexane and the insoluble was removed by filtration. This filtrate was concentrated under reduced pressure. The obtained crude product was purified by column chromatography on silica gel (eluent:ethyl acetate-hexane) to give tert-butyl 4-fluoro-2-trifluoromethylbenzoate (3.13 g). 1H-NMR(CDCl3) delta ppm: 1.58 (9H, s), 7.20-7.30 (1H, m), 7.35-7.45 (1H, m), 7.75-7.85 (1H, m).

References: [1]Patent: EP1867639,2007,A1 .Location in patent: Page/Page column 49.

5
C₂₃H₂₅N₃O₃F₃Cl*CF₃CO₂H [ No CAS ]
[ 141179-72-8 ]
C₃₁H₂₇N₃O₄F₇Cl [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

6
C₂₂H₂₅N₃O₂ClF*CF₃CO₂H [ No CAS ]
[ 141179-72-8 ]
C₃₀H₂₇N₃O₃F₅Cl [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

7
C₂₂H₂₄N₃O₂ClF₂*CF₃CO₂H [ No CAS ]
[ 141179-72-8 ]
C₃₀H₂₆N₃O₃F₆Cl [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

8
C₂₂H₂₄N₃O₂ClF₂*CF₃CO₂H [ No CAS ]
[ 141179-72-8 ]
C₃₀H₂₆N₃O₃F₆Cl [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

9
C₂₂H₂₄N₃O₂ClF₂*CF₃CO₂H [ No CAS ]
[ 141179-72-8 ]
C₃₀H₂₆N₃O₃F₆Cl [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

10
C₂₂H₂₄N₃O₂ClF₂*CF₃CO₂H [ No CAS ]
[ 141179-72-8 ]
C₃₀H₂₆N₃O₃F₆Cl [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

11
C₂₂H₂₄N₃O₂Cl₃*CF₃CO₂H [ No CAS ]
[ 141179-72-8 ]
C₃₀H₂₆N₃O₃F₄Cl₃ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

12
C₂₃H₂₆N₃O₃F₃*CF₃COOH [ No CAS ]
[ 141179-72-8 ]
C₃₁H₂₈N₃O₄F₇ [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 6172 - 6177.

13
[ 141179-72-8 ]
[ 220603-08-7 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.
[2]Patent: US6235900,2001,B1 .

14
[ 141179-72-8 ]
[ 220602-67-5 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

15
[ 141179-72-8 ]
(11-methyl-5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[4-(5-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

16
[ 141179-72-8 ]
(11-methyl-5,11-dihydro-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

17
[ 141179-72-8 ]
[ 220602-65-3 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.
[2]Patent: US6235900,2001,B1 .

18
[ 141179-72-8 ]
[ 220602-80-2 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.
[2]Patent: US6235900,2001,B1 .

19
[ 141179-72-8 ]
[4-(5-tert-butyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-(11-methyl-5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

20
[ 141179-72-8 ]
[4-(3-tert-butyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-(11-methyl-5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

21
[ 141179-72-8 ]
[4-(5-tert-butyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-(5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

22
[ 141179-72-8 ]
(11-methyl-5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[2-trifluoromethyl-4-(5-trifluoromethyl-pyrazol-1-yl)-phenyl]-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

23
[ 141179-72-8 ]
(11-methyl-5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[2-trifluoromethyl-4-(3-trifluoromethyl-pyrazol-1-yl)-phenyl]-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

24
[ 141179-72-8 ]
[ 220602-69-7 ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.
[2]Patent: US6235900,2001,B1 .

25
[ 141179-72-8 ]
(5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[2-trifluoromethyl-4-(5-trifluoromethyl-pyrazol-1-yl)-phenyl]-methanone [ No CAS ]

References: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 954 - 959.

26
[ 141179-72-8 ]
[ 497854-77-0 ]