[ CAS No. 29026-74-2 ] {[proInfo.proName]}

Name: 29026-74-2|2-Isopropoxyaniline|97%
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Quality Control of [ 29026-74-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 29026-74-2 ]

CAS No. :	29026-74-2	MDL No. :	MFCD00242947
Formula :	C₉H₁₃NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PZOZYLSYQJYXBI-UHFFFAOYSA-N
M.W :	151.21	Pubchem ID :	34436
Synonyms :

Calculated chemistry of [ 29026-74-2 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.33
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	46.95
TPSA :	35.25 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) :	-5.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.94
Log Po/w (XLOGP3) :	1.98
Log Po/w (WLOGP) :	2.06
Log Po/w (MLOGP) :	1.8
Log Po/w (SILICOS-IT) :	1.6
Consensus Log Po/w :	1.88

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.3
Solubility :	0.764 mg/ml ; 0.00505 mol/l
Class :	Soluble
Log S (Ali) :	-2.35
Solubility :	0.682 mg/ml ; 0.00451 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.58
Solubility :	0.394 mg/ml ; 0.00261 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.09

Safety of [ 29026-74-2 ]

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 [ 29026-74-2 ]

* 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 [ 29026-74-2 ]
Downstream synthetic route of [ 29026-74-2 ]

[ 29026-74-2 ] Synthesis Path-Upstream 1~6

1
[ 38753-50-3 ]
[ 29026-74-2 ]

Yield	Reaction Conditions	Operation in experiment
90%	With hydrogen In methanol	[1767] The product from Example 242A (5.00 g, 27.5) was reduced under hydrogen pressure (60 psi) using 10percent Pd/C catalyst in methanol. The catalyst was filtered and solution was concentrated under reduced pressure to afford 3.75 g (90percent) of the desired product as brown oil. 1H NMR (400 MHz, CDCl3) δ1.35 (d, 6H, J=6.1 Hz), 3.77 (br s, 2H), 4.52 (m, 1H), 6.75 (m, 4H), ; MS (DCI/NH3) m/e 152 (M+H)+.
84%	With hydrogen In methanol for 4 - 8 h;	Example 1; Preparation of 2-{4-[4-(2-Isopropoxv-phenyl)-piperazin-1-yl]- cyclohexyl} -3a,4,7,7a-tetrahydro-isoindole-1,3-dione (Compound No. 1); Step 1; Preparation of 2-Isopropoxy-phenylamine; To a solution of l-Isopropoxy-2-nitro-benzene (10 gm, 0.055 mole) in methanol (40 ml) was added Palladium-carbon (50percent wet), 2.0 g and reaction mass hydrogenated at 50-60 psi for 4 to 8 hours. After completion of the reaction, the reaction mass filtered through a celite bed, and washed with methanol (2x 15 ml). The filtrate thus obtained was concentrated to yield the desired amine. Yield: 7.0 gm (84percent)
81%	With palladium 10% on activated carbon; hydrogen In methanol for 72 h;	General procedure: To a solution of 1 -isopropoxy-2-nitrobenzene (1 1 .7 g, 64.6 mmol) in methanol (300 mL) Pd/C (10percent) (5percent wt, 0.585 g) was added and stirred under hydrogen (1 atm) for 72 hour. Upon completion, the reaction was filtered over celite, concentrated, and purified by combiflash 0 to 30percent EtOAc to afford 2-isopropoxyaniline (7.88 g, 81 percent yield). ¹H NMR (400 MHz, CDCI₃): δ 6.80-6.79 p.p.m. (m, 2H), 6.78-6.75 (m, 2H), 4.59 (h, 1 .5 Hz, 1 H), 3.85 (s, 1 H), 1 .42 (d, J=6 Hz, 2H); ¹³C NMR (125 MHz): δ 145.4, 137.4, 121 .1 , 1 18.4, 1 15.4, 1 13.7, 70.6 HRMS (m/z): [M+] calculated for C₉H₁₃NO 151 .21 , found 151 .47

26%

With sodium dithionite; water In tetrahydrofuran at 25 - 55℃; for 3 h;

B. 2-Isopropoxy-phenylamine. To a solution of 1-isopropoxy-2-nitro-benzene (10 g, 55 mmol) in THF (100 mL) was added a solution of sodium hydrosulfite (48 g, 280 mmol) in H2O (200 mL). The reaction mixture was stirred at 25° C. for 1 h then at 55° C. for 2 h. The mixture was treated with 1 N HCl (50 mL), followed by 1 N NaOH (50 mL) to neutralize the solution, and then was extracted with EtOAc (3.x.100 mL). The combined organic layers were washed with brine, dried (MgSO4), filtered, and concentrated under reduced pressure. The crude residue was purified by column chromatography (CH2Cl2) to provide a tan oil (2.2 g, 26percent). MS (ESI): mass calculated for C9H13NO, 151.10; m/z found, 152.1 [M+H]+. 1H NMR (400 MHz, CDCl3): 6.81-6.68 (m, 4H), 4.52 (hept, J=6.1 Hz, 1H), 3.64 (br s, 2H), 1.35 (d, J=6.1 Hz, 6H).

Reference： [1] Organic Letters, 2011, vol. 13, # 16, p. 4320 - 4323
[2] Patent: US2003/229094, 2003, A1, . Location in patent: Page 107
[3] Patent: WO2005/113498, 2005, A1, . Location in patent: Page/Page column 16
[4] Patent: WO2014/11973, 2014, A2, . Location in patent: Paragraph 0157; 0161
[5] Bioorganic and medicinal chemistry, 2004, vol. 12, # 16, p. 4511 - 4532
[6] Patent: US2005/49239, 2005, A1, . Location in patent: Page/Page column 13
[7] Journal fuer Praktische Chemie (Leipzig), 1973, vol. 315, p. 611 - 619
[8] Chemical and Pharmaceutical Bulletin, 1989, vol. 37, # 7, p. 1780 - 1787
[9] Tetrahedron, 2007, vol. 63, # 41, p. 10276 - 10281
[10] Journal of Medicinal Chemistry, 2007, vol. 50, # 20, p. 4898 - 4908
[11] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 18, p. 5795 - 5800,6
[12] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 18, p. 5795 - 5800
[13] Patent: US9586928, 2017, B2, . Location in patent: Page/Page column 160

2
[ 95-55-6 ]
[ 75-26-3 ]
[ 29026-74-2 ]

Yield	Reaction Conditions	Operation in experiment
52%	With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 24 h;	General procedure: These syntheses were carried out in one step as per De Marco et al. [24] Aminophenol (92 mmol) and a suspension of NaH in mineral oil (275 mmol NaH) were suspended in dry DMF (100 mL). The corresponding alkylbromide (137 mmol) was added dropwise and the mixture was then stirred for 24 h at room temperature. The reaction was quenched by adding 400 mL of distilled water and the aqueous layer was extracted with 3 × 150 mL of ethyl acetate. Collected organic layers were dried over anhydrous Na₂SO₄ and concentrated in vacuo. Pure product was obtained by distillation under reduced pressure.

Reference： [1] Molecules, 2015, vol. 20, # 6, p. 9767 - 9787
[2] Molecules, 2018, vol. 23, # 7,

3
[ 75-30-9 ]
[ 824-39-5 ]
[ 29026-74-2 ]

Reference： [1] Patent: US4882357, 1989, A,

4
[ 88-75-5 ]
[ 29026-74-2 ]

Reference： [1] Tetrahedron, 2007, vol. 63, # 41, p. 10276 - 10281
[2] Journal fuer Praktische Chemie (Leipzig), 1973, vol. 315, p. 611 - 619
[3] Patent: WO2014/11973, 2014, A2,
[4] Patent: US9586928, 2017, B2,
[5] Patent: US2005/49239, 2005, A1,

5
[ 1624-53-9 ]
[ 75-26-3 ]
[ 29026-74-2 ]

Reference： [1] Arkivoc, 2010, vol. 2010, # 9, p. 293 - 299

6
[ 1493-27-2 ]
[ 29026-74-2 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 18, p. 5795 - 5800,6
[2] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 18, p. 5795 - 5800

[ 29026-74-2 ] Synthesis Path-Downstream 1~88

1
[ 29026-74-2 ]
[ 53965-13-2 ]

Reference： [1],1950,vol. 2,p. 194,195

2
[ 53554-29-3 ]
[ 29026-74-2 ]
[ 98771-57-4 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;	EXAMPLE 4 Ethyl 1,6-dihydro-2-methylthio-6-oxo-5-pyrimidinecarboxylate (15 g) and <strong>[29026-74-2]2-(1-methylethoxy)aniline</strong> (11.5 g) are added to ethanol (100 ml), and the mixture is refluxed with stirring for 17 hours. After cooling, the precipitate is collected by filtration and recrystallized from DMF to give ethyl 1,6-dihydro-2-[2-(1-methylethoxy)anilino]-6-oxo-5-pyrimidinecarboxylate (8.5 g). M.p. 205-207 C. Elemental analysis for C16 H19 N3 O4: Calcd. (%): C, 60.56; H, 6.03; N, 13.24. Found (%): C, 60.73; H, 6.12; N, 13.40. IR numaxnujol cm-1: 3000-3300 (NH), 1720 (C=O), 1600 (C=O). NMR (DMSO-d6) delta: 1.34 (6H, d, J=7 Hz, OCH(CH3)2), 1.30 (3H, t, J=7 Hz, OCH2 CH3), 4.26 (2H, q, J=7 Hz, OCH2 CH3), 4.73 (1H, m, OCH(CH3)2), 6.86-7.30 (3H, m, Ar--H), 8.32 (1H, d, J-8 Hz, Ar--H), 8.53 (1H, s, C4 --H), 8.20-12.30 (2H, b, 2*NH). Mass m/e: 317 (M+).

Reference： [1]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 1780 - 1787
[2]Patent: US4666915,1987,A

3
[ 38753-50-3 ]
[ 29026-74-2 ]

Yield	Reaction Conditions	Operation in experiment
90%	With hydrogen;10% Pd/C; In methanol; under 3102.97 Torr;	[1767] The product from Example 242A (5.00 g, 27.5) was reduced under hydrogen pressure (60 psi) using 10% Pd/C catalyst in methanol. The catalyst was filtered and solution was concentrated under reduced pressure to afford 3.75 g (90%) of the desired product as brown oil. 1H NMR (400 MHz, CDCl3) delta1.35 (d, 6H, J=6.1 Hz), 3.77 (br s, 2H), 4.52 (m, 1H), 6.75 (m, 4H), ; MS (DCI/NH3) m/e 152 (M+H)+.
84%	With hydrogen;50% palladium on charcoal; In methanol; under 2585.81 - 3102.97 Torr; for 4 - 8h;	Example 1; Preparation of 2-{4-[4-(2-Isopropoxv-phenyl)-piperazin-1-yl]- cyclohexyl} -3a,4,7,7a-tetrahydro-isoindole-1,3-dione (Compound No. 1); Step 1; Preparation of 2-Isopropoxy-phenylamine; To a solution of l-Isopropoxy-2-nitro-benzene (10 gm, 0.055 mole) in methanol (40 ml) was added Palladium-carbon (50% wet), 2.0 g and reaction mass hydrogenated at 50-60 psi for 4 to 8 hours. After completion of the reaction, the reaction mass filtered through a celite bed, and washed with methanol (2x 15 ml). The filtrate thus obtained was concentrated to yield the desired amine. Yield: 7.0 gm (84%)
81%	With palladium 10% on activated carbon; hydrogen; In methanol; under 760.051 Torr; for 72h;	General procedure: To a solution of 1 -isopropoxy-2-nitrobenzene (1 1 .7 g, 64.6 mmol) in methanol (300 mL) Pd/C (10%) (5% wt, 0.585 g) was added and stirred under hydrogen (1 atm) for 72 hour. Upon completion, the reaction was filtered over celite, concentrated, and purified by combiflash 0 to 30% EtOAc to afford 2-isopropoxyaniline (7.88 g, 81 % yield). 1H NMR (400 MHz, CDCI3): delta 6.80-6.79 p.p.m. (m, 2H), 6.78-6.75 (m, 2H), 4.59 (h, 1 .5 Hz, 1 H), 3.85 (s, 1 H), 1 .42 (d, J=6 Hz, 2H); 13C NMR (125 MHz): delta 145.4, 137.4, 121 .1 , 1 18.4, 1 15.4, 1 13.7, 70.6 HRMS (m/z): [M+] calculated for C9H13NO 151 .21 , found 151 .47

26%	With sodium dithionite; water; In tetrahydrofuran; at 25 - 55℃; for 3h;	B. 2-Isopropoxy-phenylamine. To a solution of 1-isopropoxy-2-nitro-benzene (10 g, 55 mmol) in THF (100 mL) was added a solution of sodium hydrosulfite (48 g, 280 mmol) in H2O (200 mL). The reaction mixture was stirred at 25 C. for 1 h then at 55 C. for 2 h. The mixture was treated with 1 N HCl (50 mL), followed by 1 N NaOH (50 mL) to neutralize the solution, and then was extracted with EtOAc (3×100 mL). The combined organic layers were washed with brine, dried (MgSO4), filtered, and concentrated under reduced pressure. The crude residue was purified by column chromatography (CH2Cl2) to provide a tan oil (2.2 g, 26%). MS (ESI): mass calculated for C9H13NO, 151.10; m/z found, 152.1 [M+H]+. 1H NMR (400 MHz, CDCl3): 6.81-6.68 (m, 4H), 4.52 (hept, J=6.1 Hz, 1H), 3.64 (br s, 2H), 1.35 (d, J=6.1 Hz, 6H).
	With palladium 10% on activated carbon; hydrogen; In ethanol; for 6h;Reflux;	10% Pd/carbon (0.124 g, 5% wt) was added to a round bottom flask equipped with a reflux condenser/septum and containing 1-isopropoxy-2-nitrobenzene (2.480 g, 13.69 mmol) dissolved in ethanol (0.5 mL). The mixture was degassed for 15 min. and replaced with H2(g) via balloon and refluxed for 6 h. The resulting mixture was filtered through celite using excess EtOH and concentrated to an oil crude. The title compound was isolated via flash chromatography on silica gel (MeOH:CH2Cl2).

Reference： [1]Organic Letters,2011,vol. 13,p. 4320 - 4323
[2]Patent: US2003/229094,2003,A1 .Location in patent: Page 107
[3]Patent: WO2005/113498,2005,A1 .Location in patent: Page/Page column 16
[4]Patent: WO2014/11973,2014,A2 .Location in patent: Paragraph 0157; 0161
[5]Patent: US2005/49239,2005,A1 .Location in patent: Page/Page column 13
[6]Bioorganic and medicinal chemistry,2004,vol. 12,p. 4511 - 4532
[7]Journal fur praktische Chemie (Leipzig 1954),1973,vol. 315,p. 611 - 619
[8]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 1780 - 1787
[9]Tetrahedron,2007,vol. 63,p. 10276 - 10281
[10]Journal of Medicinal Chemistry,2007,vol. 50,p. 4898 - 4908
[11]Bioorganic and medicinal chemistry letters,2012,vol. 22,p. 5795 - 5800,6
[12]Patent: US9586928,2017,B2 .Location in patent: Page/Page column 160

4
[ 75-44-5 ]
[ 29026-74-2 ]
[ 128255-32-3 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 1932 - 1935

5
[ 7592-97-4 ]
[ 29026-74-2 ]
(4-Chloromethanesulfonyl-2-nitro-phenyl)-(2-isopropoxy-phenyl)-amine [ No CAS ]

Reference： [1]Polish Journal of Chemistry,1983,vol. 57,p. 555 - 560

6
[ 821-48-7 ]
[ 29026-74-2 ]
[ 54013-91-1 ]

Yield	Reaction Conditions	Operation in experiment
63%		[1769] The product from Example 242B (3.5 g, 23.2 mmol) was added slowly to bis-2-chloroethylaime hydrochloride (4.96 g, 27.78 mmol) at room temperature and refluxed for 48 hours. The reaction was cooled to room temperature and sodium carbonate added (9 g) and refluxed for another 48 hours. The mixture was cooled to room temperature, filtered and the white solid partitioned between dichloromethane and 3N sodium hydroxide. The organic phase was dried over magnesium sulfate, filtered and concentrated under reduced pressure to afford 3.2 g (63%) pink oil. 1H NMR (300 MHz, CDCl3) delta1.4 (d, 6H, J=6 Hz), 1.5-1.6 (m, 4H), 2.45-2.65 (m, 4H), 3.43 (m, 1H), 6.6-6.8 (m, 2H), 6.81-6.91 (m, 2H); MS (DCI/NH3) m/e 221 (M+H)+.

Reference： [1]Patent: US2003/229094,2003,A1 .Location in patent: Page 107
[2]Journal of Medicinal Chemistry,1989,vol. 32,p. 1052 - 1056
[3]Journal of Medicinal Chemistry,2006,vol. 49,p. 5093 - 5109

7
[ 29026-74-2 ]
[ 2114-00-3 ]
[ 740028-28-8 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1973,vol. 315,p. 611 - 619

Yield	Reaction Conditions	Operation in experiment
3.75 g (90%)		EXAMPLE 242B 2-isopropoxyaniline The product from Example 242A (5.00 g, 27.5) was reduced under hydrogen pressure (60 psi) using 10% Pd/C catalyst in methanol. The catalyst was filtered and solution was concentrated under reduced pressure to afford 3.75 g (90%) of the desired product as brown oil. 1H NMR (400 MHz, CDCl3) delta1.35 (d, 6H, J=6.1 Hz), 3.77 (br s, 2H), 4.52 (m, 1H), 6.75 (m, 4H),; MS (DCI/NH3) m/e 152 (M+H)+.

9
[ 870-24-6 ]
[ 29026-74-2 ]
[ 614747-33-0 ]

Yield	Reaction Conditions	Operation in experiment
21%		C. N1-(2-Isopropoxy-phenyl)-ethane-1,2-diamine. To a solution of <strong>[29026-74-2]2-isopropoxy-phenylamine</strong> (2.18 g, 14.4 mmol) in isopropanol (20 mL) was added 2-chloroethylamine hydrochloride (2.3 g, 20 mmol), and the mixture was stirred at 85 C. for 24 h. Triethylamine (1.46 g, 14.4 mmol) was added, and the resulting mixture was stirred at 85 C. for 24 h. The reaction mixture was made basic using 1 N NaOH (40 mL), and the aqueous layer was extracted with EtOAc (3×100 mL). The combined organic layers were washed with brine, dried (MgSO4), filtered, and concentrated under reduced pressure. The crude residue was purified by column chromatography (1:10:150 NH4OH/CH3OH/CH2Cl2, then with 10% CH3OH/CH2Cl2) to give a brown oil (0.59 g, 21%). MS (ESI): mass calculated for C11H18N2O, 194.14; m/z found, 195.1 [M+H]+. 1H NMR (400 MHz, CDCl3): 6.84 (dt, J=7.6, 1.4 Hz, 1H), 6.77 (dd, J=8.0, 1.4 Hz, 1H), 6.65-6.61 (m, 2H), 4.52 (hept, J=6.1 Hz, 1H), 3.22 (t, J=5.8 Hz, 2H), 2.94 (t, J=6.0 Hz, 2H), 1.61 (br s, 2H), 1.35 (d, J=6.1 Hz, 6H). 13C NMR (100 MHz, CDCl3): 144.9, 139.2, 121.2, 116.4, 112.5, 110.2, 70.6, 46.5, 41.2, 22.3.

Reference： [1]Patent: US2005/49239,2005,A1 .Location in patent: Page/Page column 13
[2]Bioorganic and medicinal chemistry,2004,vol. 12,p. 4511 - 4532

10
[ 6276-54-6 ]
[ 29026-74-2 ]
[ 748771-92-8 ]

Yield	Reaction Conditions	Operation in experiment
15%	With triethylamine; In isopropyl alcohol; at 50 - 90℃; for 48h;	A. N1-(2-Isopropoxy-phenyl)-propane-1,3-diamine. To a solution of <strong>[29026-74-2]2-isopropoxy-phenylamine</strong> (0.50 g, 3.3 mmol) in isopropanol (7 mL) was added Et3N (0.67 g, 6.6 mmol) and 3-chloropropylamine hydrochloride (0.515 g, 3.96 mmol). The reaction mixture was heated to 50 C. for 24 h, then to 90 C. for 24 h. The mixture was treated with satd NaHCO3 (20 mL), EtOAc (40 mL) and H2O (20 mL), and then the aqueous layer was back-extracted with EtOAc (3×40 mL). The combined organic layers were washed with brine, dried (MgSO4), filtered, and concentrated under reduced pressure. The resulting residue was purified by column chromatography (50-100% EtOAc/hexanes) to provide an amber oil (0.10 g, 15%). MS (ESI): mass calculated for C12H20N2O, 208.16; m/z found, 209.1 [M+H]+. 1H NMR (400 MHz, CDCl3): 6.85-6.81 (m, 1H), 6.77-6.60 (m, 1H), 6.66-6.60 (m, 2H), 4.51 (hept, J=6.1 Hz, 1H), 3.27 (t, J=6.6 Hz, 2H), 3.10 (t, J=7.0 Hz, 2H), 2.06 (quint, J=6:7 Hz, 2H), 1.34 (d, J=6.1 Hz, 6H).

Reference： [1]Patent: US2005/49239,2005,A1 .Location in patent: Page/Page column 13-14
[2]Bioorganic and medicinal chemistry,2004,vol. 12,p. 4511 - 4532

11
[ 3934-20-1 ]
[ 29026-74-2 ]
(2-chloro-pyrimidin-4-yl)-(2-isopropoxy-phenyl)-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 4981 - 4991

12
[ 29026-74-2 ]
[ 98-88-4 ]
[ 908554-54-1 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 10276 - 10281

13
[ 29026-74-2 ]
[ 598-21-0 ]
2-bromo-N-(2-isopropoxyphenyl)acetamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 4898 - 4908

14
[ 29026-74-2 ]
[ 953424-11-8 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 10276 - 10281

15
[ 29026-74-2 ]
[ 833-50-1 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 10276 - 10281

16
[ 88-75-5 ]
[ 29026-74-2 ]

Reference： [1]Tetrahedron,2007,vol. 63,p. 10276 - 10281
[2]Journal fur praktische Chemie (Leipzig 1954),1973,vol. 315,p. 611 - 619
[3]Patent: WO2014/11973,2014,A2
[4]Patent: US9586928,2017,B2
[5]Patent: US2005/49239,2005,A1
[6]Bioorganic and medicinal chemistry,2004,vol. 12,p. 4511 - 4532

17
[ 29026-74-2 ]
1-(4-fluoro-phenyl)-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propan-1-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 5093 - 5109

18
[ 29026-74-2 ]
1-(4-fluoro-phenyl)-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propan-1-one <i>O</i>-methyl-oxime [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 5093 - 5109

19
[ 29026-74-2 ]
1-(4-fluoro-phenyl)-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propan-1-one <i>O</i>-methyl-oxime [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 5093 - 5109

20
[ 29026-74-2 ]
(2-chloro-pyrimidin-4-yl)-(2-isopropoxy-phenyl)-carbamic acid 2,6-dimethyl-phenyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 4981 - 4991

21
[ 29026-74-2 ]
[ 748772-86-3 ]

Reference： [1]Patent: US2005/49239,2005,A1
[2]Bioorganic and medicinal chemistry,2004,vol. 12,p. 4511 - 4532

22
[ 29026-74-2 ]
N,N-Diethyl-3-[2-(2-isopropoxy-phenylamino)-ethylamino]-methyl}-benzamide [ No CAS ]

Reference： [1]Patent: US2005/49239,2005,A1
[2]Bioorganic and medicinal chemistry,2004,vol. 12,p. 4511 - 4532

23
[ 29026-74-2 ]
(3-[2-(2-Isopropoxy-phenylamino)-ethylamino]-methyl}-phenyl)-morpholin-4-yl-methanone [ No CAS ]