[ CAS No. 1161426-63-6 ] {[proInfo.proName]}

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Quality Control of [ 1161426-63-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1161426-63-6 ]

Product Details of [ 1161426-63-6 ]

CAS No. :	1161426-63-6	MDL No. :	MFCD19690980
Formula :	C₇H₁₀ClFN₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	176.62	Pubchem ID :	-
Synonyms :

Safety of [ 1161426-63-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1161426-63-6 ]

* 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 [ 1161426-63-6 ]

[ 1161426-63-6 ] Synthesis Path-Downstream 1~2

1
[ 1161426-39-6 ]
[ 1161426-63-6 ]
[ 1161424-68-5 ]

Yield	Reaction Conditions	Operation in experiment
31%	With sodium metabisulfite; triethylamine In N,N-dimethyl-formamide at 90℃; for 12h;	1.F 5-Fluoro-4-methyl-2-{4-methyl-1-[3-(1-methyl-pieridin-4-yl)-proyl]-2,3-dihydro-1H-indol-5-yl}-1H-benzoimidazole A solution of 4-methyl-1-[3-(1-methyl-piperidin-4-yl)-propyl]-2,3-dihydro-1H-indole-5-carbaldehyde (0.30 g, 1.00 mmol), 4-fluoro-3-methyl-benzene-1,2-diamine hydrochloride (0.18 g, 1.00 mmol), Et3N (0.29 mL, 2.00 mol), and Na2S2O5 (0.24 g, 1.30 mmol) in DMF (0.25 M) was heated at 90° C. for 12 h. The reaction mixture was loaded directly onto SiO2 and purified by FCC, which afforded 130 mg (31%) of the title compound. MS: mass calcd. for C26H33FN4, 420.27; m/z found, 421.3 [M+H]+. 1H NMR (CD3OD): 7.36-7.25 (m, 2H), 6.94 (dd, J=10.4, 8.8, 1H), 6.36 (d, J=8.2, 1H), 3.43 (t, J=8.5, 2H), 3.08 (t, J=7.2, 2H), 2.93 (t, J=8.4, 2H), 2.88-2.81 (m, 2H), 2.47 (s, 3H), 2.32 (s, 3H), 2.24 (s, 3H), 2.05-1.93 (m, 2H), 1.76-1.67 (m, 2H), 1.66-1.56 (m, 2H), 1.37-1.17 (m, 5H).

Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - US2009/156613, 2009, A1 Location in patent: Page/Page column 12

2
[ 952494-45-0 ]
[ 1161426-63-6 ]
[5-(5-fluoro-4-methyl-1H-benzoimidazol-2-yl)pyrimidin-2-yl]-[3-(1-methylpiperidin-4-yl)propyl]amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium metabisulfite; triethylamine In N,N-dimethyl-formamide at 90℃;	8 Example 8[5-(5-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-4-methyl-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amine; To a 2 L Erlenmeyer flask were added 4-fluoro-3-methyl-benzene-1,2-diamine.HCl (46.32 g, 262.3 mmol), Na2S2O5 (64.82 g, 341.0 mmol), and 4-methyl-2-[3-(1-methyl-piperidin-4-yl)-propylamino]-pyrimidine-5-carbaldehyde (72.5 g, 262.3 mmol) in DMF (725 mL). To the resultant mixture was then added triethylamine (36.6 mL, 262.3 mmol), and the reaction was warmed on a hot plate with stirring to 90° C. and held at this temperature for 2 hours. The resultant mixture was then concentrated to near dryness and partitioned between dichloromethane (1 L) and 1 N NaOH (1 L). After separation of the layers, the aqueous layer was extracted a second time with dichloromethane (1 L). The combined organic layers were then washed with saturated aqueous NaHCO3 (1.6 L). The organics were then extracted with a 1 M mono/dibasic phosphate buffer (pH 5.62, 1.23 L). The aqueous layer was then basified with 50% NaOH (80 mL) to pH 10.8. The resultant heterogeneous layer was then extracted with dichloromethane (1.5 L and 500 mL), and the combined organics were concentrated to yield the title compound.The title compound was recrystallized from hot heptane/ethyl acetate (2:1, 1.15 L total volume) with initial hot filtration and final filter cake washing with heptane/ethyl acetate (3:1, 250 mL total volume) to yield the title compound as a crystalline solid.1H-NMR: (400 MHz, CD3OD) 6, 8.45 (s, 1H), 7.37 (dd, J=8.8, 4.4 Hz, 1H), 6.99 (dd, J=10.3, 8.8 1H), 3.42 (t, J=7.0, 2H), 2.89-2.82 (m, 2H), 2.54 (s, 3H), 2.49 (d, J=1.6 Hz, 3H), 2.24 (s, 3H), 2.03-1.94 (m, 2H), 1.77-1.70 (m, 2H), 1.69-1.61 (m, 2H), 1.38-1.18 (m, 5H).MS (electrospray): exact mass calculated for C22H29FN6, 396.2; m/z found, 397.2 [M+H]+ Elemental Analysis for C22H29FN6: Calculated: C, 66.64; H, 7.37; N, 21.19. Measured: C, 66.31; H, 7.61; N, 21.19.

Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - US2010/29942, 2010, A1 Location in patent: Page/Page column 20

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[ CAS No. 1161426-63-6 ] {[proInfo.proName]}

Quality Control of [ 1161426-63-6 ]

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Safety of [ 1161426-63-6 ]

Application In Synthesis of [ 1161426-63-6 ]

[ 1161426-63-6 ] Synthesis Path-Downstream 1~2

Related Functional Groups of [ 1161426-63-6 ]

Fluorinated Building Blocks

Aryls

Amines

Precautionary Statements-General

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Related Functional Groups of
[ 1161426-63-6 ]