[ CAS No. 317806-90-9 ] {[proInfo.proName]}

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Quality Control of [ 317806-90-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 317806-90-9 ]

CAS No. :	317806-90-9	MDL No. :	MFCD09475775
Formula :	C₁₆H₂₀N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	272.34	Pubchem ID :	-
Synonyms :

Safety of [ 317806-90-9 ]

Signal Word:		Class:
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Hazard Statements:		Packing Group:

Application In Synthesis of [ 317806-90-9 ]

* 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 [ 317806-90-9 ]
Downstream synthetic route of [ 317806-90-9 ]

[ 317806-90-9 ] Synthesis Path-Upstream 1~4

1
[ 75-44-5 ]
[ 285984-25-0 ]
[ 317806-90-9 ]
[ 285983-48-4 ]

Reference： [1] Patent: US2003/232865, 2003, A1, . Location in patent: Page 34-35

2
[ 75-44-5 ]
[ 317806-90-9 ]
[ 285983-48-4 ]

Reference： [1] Journal of Labelled Compounds and Radiopharmaceuticals, 2004, vol. 47, # 12, p. 847 - 856

3
[ 499972-03-1 ]
[ 317806-90-9 ]
[ 285983-48-4 ]

Reference： [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 14, p. 2994 - 3008

4
[ 317806-87-4 ]
[ 317806-90-9 ]
[ 285983-48-4 ]

Reference： [1] Organic and Biomolecular Chemistry, 2006, vol. 4, # 22, p. 4158 - 4164

[ 317806-90-9 ] Synthesis Path-Downstream 1~6

1
[ 499972-03-1 ]
[ 317806-90-9 ]
[ 285983-48-4 ]

Yield	Reaction Conditions	Operation in experiment
0.065 g	With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃;

Reference： [1]Regan, John; Moss, Neil; Pargellis, Chris; Pav, Sue; Proto, Alfred; Swinamer, Alan; Tong, Liang; Torcellini, Carol; Breitfelder, Steffen; Cirillo, Pier; Gilmore, Thomas; Graham, Anne G.; Hickey, Eugene; Klaus, Bernhard; Madwed, Jeffrey; Moriak, Monica [Journal of Medicinal Chemistry, 2002, vol. 45, # 14, p. 2994 - 3008]

2
[ 75-44-5 ]
[ 317806-90-9 ]
[ 317806-86-3 ]
[ 285983-48-4 ]
[ 850312-02-6 ]

Yield	Reaction Conditions	Operation in experiment
1: 95% 2: 100 mg	Stage #1: phosgene; 3-amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride With sodium hydrogencarbonate In dichloromethane; water; toluene at 0℃; for 4h; Stage #2: 4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-ylamine In dichloromethane; water; toluene at 0 - 20℃;

Reference： [1]Latli, Bachir [Journal of labelled compounds and radiopharmaceuticals, 2004, vol. 47, # 12, p. 847 - 856]

3
[ 317806-87-4 ]
[ 317806-90-9 ]
[ 285983-48-4 ]

Yield	Reaction Conditions	Operation in experiment
67 mg	In dimethyl sulfoxide at 100℃; for 0.5h; microwave irradiation;

Reference： [1]Bagley, Mark C.; Davis, Terence; Dix, Matthew C.; Widdowson, Caroline S.; Kipling, David [Organic and Biomolecular Chemistry, 2006, vol. 4, # 22, p. 4158 - 4164]

4
[ 75-44-5 ]
[ 118430-73-2 ]
[ 317806-90-9 ]
1-[5-tert-butyl-2-methyl-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]-urea [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To a mixture of 4-aminonaphthyl ether intermediate from Example 1 (0.40 g) in dichloromethane (35 mL) and saturated aqueous sodium bicarbonate (35 mL) at 0 C., phosgene (1.93 M in toluene, 1.5 mL) was added. The mixture was stirred 15 minutes and the organic layer was dried (MgSO4) and most of the volatiles removed in vacuo. A solution of 5-amino-3-tert-butyl-1-methylpyrazole (0.20 g) in dichloromethane was added and the mixture was stirred for 17 hours at ambient temperature. Removal of the volatiles in vacuo provided a residue that was purified by column chromatography using 10% methanol in ethyl acetate as the eluent. Concentration in vacuo of the product-rich fractions and recrystallization from warm ethyl acetate afforded the title compound.

Reference： [1]Patent: US2003/232865,2003,A1 .Location in patent: Page 37

5
[ 75-44-5 ]
[ 285984-25-0 ]
[ 317806-90-9 ]
[ 285983-48-4 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: phosgene; 3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine With sodium hydrogencarbonate In dichloromethane; water; toluene at 0℃; for 0.25h; Stage #2: 4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-ylamine With N-ethyl-N,N-diisopropylamine In tetrahydrofuran	1 EXAMPLE 1; Synthesis of 1-[5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]-urea A solution of the above 4-N-Boc-aminonaphthyl ether (0.511 g) and HCl (1 mL of a 4 M dioxane solution) in 5 mL dioxane was stirred at room temperature 20 hours. Removal of the volatiles in vacuo provided the desired 4-aminonaphthyl ether. To a solution of 5-amino-3-t-butyl-1-(4-methylphenyl)pyrazole (0.15 g), saturated NaHCO3 (15 mL), and dichloromethane (15 mL) at 0° C. was added phosgene (1.17 mL, 1.93M in toluene). The mixture was stirred for 15 minutes, the organic layer dried (MgSO4) and the volatiles removed in vacuo. The residue was added to a solution of the above 4-aminonaphthyl ether (0.15 g) and diisopropylethyl amine (0.32 mL) in 10 mL THF and the mixture stirred overnight. Ethyl acetate and water were added and the organic layer washed with water, brine and dried (MgSO4). Removal of the volatile in vacuo, purification of the residue by flash chromatography using ethyl acetate as the eluent and concentration in vacuo of the product-rich fractions, followed by recrystallization from hexanes and ethyl acetate provided the title compound.

Reference： [1]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - US2003/232865, 2003, A1 Location in patent: Page 34-35

6
[ 15360-02-8 ]
[ 317806-90-9 ]
3-tert-butoxy-N-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To a solution of <strong>[15360-02-8]3-tert-butoxy-benzoic acid</strong> (0.15 g, 0.774 mmol) in dimethylformamide(5 ml) is added HBTU (0.44 g, 1.5 eq) followed by the addition of diisopropylethylamine (0.296ml, 3.0 eq). The mixture is stirred at room temperature for five minutes. A solution of 4-(2-morpholin-4-yl-ethoxy)-naphthalen-l-ylamine (0.21 g) in dimethylformamide (2 ml) is thenadded. This mixture is stirred at room temperature for 15 h, diluted with water and extractedwith ethyl acetate. The organic layer is washed with water, dried over Na2SO4 and evaporated.The residue is purified by column chromatography on silica gel (ethyl acetate) to give 3-tert-butoxy-N-[4-(2-morpholin-4-yl-ethoxy)-naphmalen-l-yl]-benzamide (0.146 g). Mp: 50-51 C.'HNMR (300 MHz, DMSO-d6) 5 10.25 (s, 1H), 8.22 (m, 1H), 7.85 (m, 2H), 7.66 (s, 1H), 7.55(m, 2H), 7.23 (d, J= 7.5 Hz, 1H), 7.03 (d, J= 8.1 Hz, 1H), 4.31 (i,J= 5.1 Hz, 2H), 3.61 (t, J =4.2 Hz, 4H), 2.89 (brs, 2H), 2.58 (brs, 4H), 1.35 (s, 9H). MS: 449 (M+l).

Reference： [1]Patent: WO2006/10082,2006,A1 .Location in patent: Page/Page column 102

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[ CAS No. 317806-90-9 ] {[proInfo.proName]}

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[ 317806-90-9 ] Synthesis Path-Upstream 1~4

[ 317806-90-9 ] Synthesis Path-Downstream 1~6

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