[ CAS No. 674792-05-3 ]

Name: 674792-05-3|(S)-1-Boc-2-Isopropylpiperazine|98%
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Product Details of [ 674792-05-3 ]

CAS No. :	674792-05-3	MDL No. :	MFCD03787918
Formula :	C₁₂H₂₄N₂O₂	Boiling Point :	298.4±15.0°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	228.33 g/mol	Pubchem ID :	17750439
Synonyms :

Safety of [ 674792-05-3 ]

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 [ 674792-05-3 ]

Downstream synthetic route of [ 674792-05-3 ]

[ 674792-05-3 ] Synthesis Path-Downstream 1~25

1
[ 674792-05-3 ]
[ 952591-53-6 ]
[ 952591-55-8 ]

Reference： [1]Organic Letters,2007,vol. 9,p. 3733 - 3736

2
[ 674792-05-3 ]
5-iso-butyl-6-(6-iso-butylpyrimidin-4-yl)pyridazine-3-carboxylic acid [ No CAS ]
C₂₉H₄₄O₃N₆ [ No CAS ]

Reference： [1]Organic Letters,2007,vol. 9,p. 3733 - 3736

3
[ 674792-05-3 ]
C₂₅H₃₆ON₄ [ No CAS ]

Reference： [1]Organic Letters,2007,vol. 9,p. 3733 - 3736

4
[ 674792-05-3 ]
(S)-1-(4-(4-iso-butyl-6-(2-iso-propylphenyl)pyridazine-3-carbonyl)-2-iso-propylpiperazin-1-yl)ethanone [ No CAS ]

Reference： [1]Organic Letters,2007,vol. 9,p. 3733 - 3736

6
[ 674792-05-3 ]
[ 84468-53-1 ]

Yield	Reaction Conditions	Operation in experiment
94%	With hydrogenchloride; In 1,4-dioxane; methanol; ethyl acetate; at 20℃; for 40h;	A solution of <strong>[674792-05-3]tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate</strong> (2 g, 8.76 mmol) in a mixture of ethyl acetate (20 mL) and methanol (20.00 mL) was stirred at room temperature with 4M HCl in dioxane (30 mL) for 40 h under nitrogen. The reaction mixture was evaporated to dryness. The crude product was purified by ion exchange chromatography, using a SCX column. The desired product was eluted from the column using 3.5M NH3/MeOH and pure fractions were evaporated to dryness to afford (2S)-2-propan-2-ylpiperazine (1.052 g, 94%) as a white solid. 1H NMR (399.9 MHz, DMSO-d6) delta 0.83-0.87 (6H, m), 1.39-1.47 (1H, m), 2.15-2.22 (2H, m), 2.41-2.47 (1H, m), 2.53-2.59 (1H, m), 2.67 (1H, d), 2.75-2.80 (2H, m)-2 protons not seen.

Reference： [1]Patent: US2008/153812,2008,A1 .Location in patent: Page/Page column 142

7
[ 674792-05-3 ]
[ 1007112-35-7 ]
[ 1007112-76-6 ]

Yield	Reaction Conditions	Operation in experiment
39%		Step A: To a solution of <strong>[674792-05-3]1-tert-butyloxycarbonyl-(S)-2-isopropylpiperazine</strong> (384 mg, 1.7 mmol) in DME (10 mL) was added NaH (70 mg of 60% suspension in mineral oil, 1.6 mmol) and the mixture was stirred for 1 h at room temperature. Methyl 2-chlorobenzoxazole-4-carboxylate (368 mg, 1.6 mmol) was added to the reaction mixture and suspension formed was stirred at room temperature for 17 h. The reaction mixture was quenched with CH3OH (10 mL), silica gel (15 mL) was added, and solvent removed under reduced pressure. The mixture was purified by column chromatography (silica gel, 0 to 80% EtOAc in CH2Cl2) to afford methyl 2-(4-(tert-butoxycarbonyl)-(S)-3-isopropylpiperazin-1-yl)benzoxazole-4-carboxylate (255 mg, 39%) as a white foam. 1H NMR and MS consistent.

Reference： [1]Patent: US2008/255114,2008,A1 .Location in patent: Page/Page column 26

8
[ 674792-05-3 ]
[ 455-87-8 ]
[ 1124214-97-6 ]

Yield	Reaction Conditions	Operation in experiment
		1-Propanephosphonic acid cyclic anhydride (1.752mmol, 1.043ml_, 1115mg) was added to a solution of <strong>[674792-05-3](S)-tert-butyl 2-isopropylpiperazine-1-carboxylate</strong> (0.876mmol, 200mg), 4-amino-3-fluorobenzoic acid (0.876mmol, 136mg) and triethylamine (1.752mmol, 0.244 mL, 177mg) in dichloromethane and stirred at room temperature for 2 hours. After this time, ethyl acetate (10OmL) was then added to the reaction. The organic mixture was washed with saturated sodium hydrogen carbonate, water, dried over sodium sulphate and concentrated under vacuum. The residue was then dissolved in dichloromethane <n="65"/>(5ml_) and trifluoroacetic acid (17.52mmol, 1997mg) added. The resultant solution was allowed to stand at room temperature overnight. The reaction was concentrated under vacuum and purified by strong cation exchange chromatography to give the title compound (200mg) as a clear oil. MS (ESI) m/z 266.3 [M+H]+

Reference： [1]Patent: WO2009/24550,2009,A1 .Location in patent: Page/Page column 63-64

9
[ 674792-05-3 ]
[ 1032954-60-1 ]
[ 1032954-40-7 ]

Yield	Reaction Conditions	Operation in experiment
69%	With triethylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In dichloromethane; for 18h;Inert atmosphere;	The carboxylic acid was used directly in the next step without further purification. To a solution of the acid (340 mg, 1.5 mmol) in CH2Cl2 (15 mL), was added NEt3 (0.422 mL, 3 mmol), <strong>[674792-05-3](2S)-N-Boc-2-Isopropyl-piperazine</strong> (350 mg, 1.5 mmol) and PyBroP (707 mg, 1.5 mmol). After stirring 18 h under nitrogen, the reaction mixture was diluted with CH2Cl2 (50 mL) and washed with a solution of HCl (0.1 M, 10 mL) and saturated NaHCO3 (10 mL). The organic layer was then dried with Na2SO4, filtered and concentrated under reduced pressure. The crude residue was purified by column chromatography (Hexane/AcOEt 1/0 to 6/4) and the desired piperazine adduct 13c was obtained as a pale yellow foam (452 mg, 1.04 mmol, 69%); HRMS: (ESI-TOF) C22H34N4O5H+ expected: 435.2602. found: 435.2598.

Reference： [1]Patent: US2009/197895,2009,A1 .Location in patent: Page/Page column 9

10
[ 674792-05-3 ]
[ 455-87-8 ]
C₁₉H₂₉FN₄O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In dichloromethane; ethyl acetate; at 20℃; for 2h;	1-Propanephosphonic acid cyclic anhydride (1.752 mmol. 1.043 ml, 1115 mg) was added to a solution of <strong>[674792-05-3](S)-tert-butyl 2-isopropylpiperazine-1-carboxylate</strong> (0.876 mmol, 200 mg), 4-amino-3-fluorobenzoic acid (0.876 mmol, 136 mg) and triethylamine (1.752 mmol, 0.244 ml, 177 mg) in dichloromethane and stirred at room temperature for 2 hours. After this time, ethyl acetate (100 mL) was then added to the reaction. The organic mixture was washed with saturated sodium hydrogen carbonate, water, dried over sodium sulphate and concentrated under vacuum. The residue was then dissolved in dichloromethane (5 ml) and trifluoroacetic acid (17.52 mmol, 1997 mg) added. The resultant solution was allowed to stand at room temperature overnight. The reaction was concentrated under vacuum and purified by strong cation exchange chromatography to give the title compound (200 mg) as a clear oil. MS (ESI) m/z 266.3 [M+H]+

Reference： [1]Patent: US2009/264416,2009,A1 .Location in patent: Page/Page column 34

11
[ 674792-05-3 ]
[ 1175014-68-2 ]
C₂₆H₃₁ClN₄O₃ [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 5480 - 5486

12
[ 674792-05-3 ]
[ 1206625-37-7 ]
C₄₂H₄₄N₆O₂ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 1799 - 1810

13
[ 674792-05-3 ]
[ 1133116-39-8 ]
[ 1509949-10-3 ]

Reference： [1]Journal of Medicinal Chemistry,2013,vol. 56,p. 10132 - 10141

14
[ 674792-05-3 ]
[ 773134-43-3 ]
(S)-tert-butyl 2-isopropyl-4-(4-(methoxycarbonyl)-3-(methylsulfonyl)phenyl)piperazine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; XPhos; In toluene; at 100℃;Inert atmosphere;	[00339] To a solution of (5)-tert-butyl 2-isopropylpiperazine-1-carboxylate (400 mg, 1.76 mmol) in anhydrous toluene (10 mL) was added methyl 4-bromo-2-(methylsulfonyl)benzoate (1.03 g, 4.8 mmol), X-phos (80 mg, 0.17 mmol), Cs2CO3 (1.50 g, 4.62 mmol) and Pd2(dba)3 (200 mg, 0.22 mmol) under N2. The reaction mixture was stirred at 100 oC overnight. The reaction was quenched with water (20 mL), and extracted with EtOAc (4 X 20 mL). The combined organic layers were dried over anhydrous Na2504, filtered, concentrated and then purified by preparative TLC with petroleum ether / EtOAc 5/1 to afford (5)-tert-butyl 2- isopropyl-4- (4- (methoxycarbonyl)-3- (methylsulfonyl)phenyl)piperazine- 1 -carboxylate (500 mg, 65% yield) as a grey solid.

Reference： [1]Patent: WO2016/22521,2016,A1 .Location in patent: Paragraph 00338; 00339
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 3264 - 3271

15
[ 674792-05-3 ]
4-((S)-3-isopropyl-4-(((1s,4R)-4-(trifluoromethyl)cyclohexyl)methyl)piperazin-1-yl)-2-(methylsulfonyl)benzonitrile [ No CAS ]