63139-97-9|(2-Methylthiazol-5-yl)methanamine| Ambeed

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Quality Control of [ 63139-97-9 ] Purity: 98% SDS Specification

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Product Details of [ 63139-97-9 ]

CAS No. :	63139-97-9
Formula :	C₅H₈N₂S
M.W :	128.20
SMILES Code :	CC1=NC=C(CN)S1
MDL No. :	MFCD02853614
InChI Key :	XYRSJQNUWZHRBX-UHFFFAOYSA-N
Pubchem ID :	19046689

Safety of [ 63139-97-9 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H301-H315-H318-H335
Precautionary Statements:	P261-P280-P301+P310-P305+P351+P338
Class:	8(6.1)
UN#:	2923
Packing Group:	Ⅲ

Application In Synthesis of [ 63139-97-9 ]

* 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.

Downstream synthetic route of [ 63139-97-9 ]

[ 63139-97-9 ] Synthesis Path-Downstream 1~18

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[ 838892-96-9 ]
[ 63139-97-9 ]

Yield	Reaction Conditions	Operation in experiment
61%		Suspend 2- (2-METHYLTHIAZOL-5-YLMETHYL) ISOINDOLE-1, 3-dione (210 MG, D. 814 mmol) in 6N HCl (8 mL) and heat at reflux for 2.5 hours. Cool to room temperature and stir for an additional 5 hours. Basify the mixture with 2 N sodium hydroxide, extract with methylene chloride (3 x 50 mL), dry (sodium sulfate), filter, and concentrate to afford 70 mg (61% yield) of the title compound as a brown OIL. H NMR (CDC13) 6 7.34 (s, 1H), 4.11 (s, 2H), 2.45 (S, 3H), 1.70 (br s, 2H).

References: [1]Patent: WO2005/9941,2005,A1 .Location in patent: Page 31-32.

3
4-bromo-2-methyl-6-(((1S,2S)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropyl)methoxy)pyridazin-3(2H)-one [ No CAS ]
[ 63139-97-9 ]
2-methyl-6-(((1S,2S)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropyl)methoxy)-4-((2-methylthiazol-5-yl)methylamino)pyridazin-3(2H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; at 85℃; for 4h;Inert atmosphere;	To the solution of 4-bromo-2-methyl-6-(((1S,2S)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropyl)methoxy)pyridazin-3(2H)-one (made according to Example 1, by replacing ((1S,2S)-2-( 5-methylpyridin-2-yl)cyclopropyl)methanol with ((I S,2S)-2-(1-methyl-1H -pyrazol-3-yl)cyclopropyl)methanol, 27 mg, 0.08 mmol) in toluene (2 mL) under N2, <strong>[63139-97-9](2-methylthiazol-5-yl)methanamine</strong> (13 mg, 0.096 mmol), Pd2(dba)3 (7 mg, 0.008 mmol), BINAP (7 mg, 0.012mmol) and Na01Bu (9 mg, 0.096 mmol) were added. After the reaction mixture was stirred at 85C for 4 h, 15 mL water was added. The mixture was extracted with EtOAc (3 x 10 mL). Thecombined organics were dried over MgS04, filtered and concentrated in vacuo. The residue was5 purified by reverse phase chromatography (X bridge Prep C180BD, 40-60% acetonitrile inwater with 10 mmol NH4HC03 modifier) to afford the title compound as an oil. 1H NMR (400MHz, MeOD) o 7.56 (s, 1H),7.42 (d, 1H), 5.96 (d, 1H), 5.89 (s, 1H), 4.59 (s, 2H), 4.15-5.11(m, 1H), 4.04-4.01 (m, 1H), 3.81 (s, 3H), 3.63 (s, 3H), 2.66 (s, 3H), 1.95- 1.89 (m, 1H), 1.61-1.53 (m, 1H), 1.01-0.95 (m, 2H); LRMS m/z (M+H) 387.1 found, 387.15 required.
	With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; at 85℃; for 4h;Inert atmosphere;	Step A: 2-methyl-6-(((lS.2S -2-(l-methyl-lH-pyrazol-3-yl cvclopropyl methoxyN)-4-((2-methylthiazol-5- ylN)methylaminoN)pyridazin-3(2HN)-oneTo the solution of 4-bromo-2-methyl-6-(((lS,2S)-2-(l-methyl-lH-pyrazol-3-yl)cyclopropyl)methoxy)pyridazin-3(2H)-one (made according to Example 1, by replacing ((lS,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methanol with (( 1 S,2S)-2-(l -methyl- 1 H-pyrazol-3 - yl)cyclopropyl)methanol, 27 mg, 0.08 mmol) in toluene (2 mL) under N2, (2-methylthiazol-5- yl)methanamine (13 mg, 0.096 mmol), Pd2(dba)3(7 mg, 0.008 mmol), BetaGammaNuAlphaRho (7 mg, 0.012 mmol) and NaO'Bu (9 mg, 0.096 mmol) were added. After the reaction mixture was stirred at 85 C for 4 h, 15 mL water was added. The mixture was extracted with EtOAc (3 x 10 mL). The combined organics were dried over MgS04, filtered and concentrated in vacuo. The residue was purified by reverse phase chromatography (X bridge Prep C180BD, 40-60% acetonitrile in water with 10 mmol NH4HCO3modifier) to afford the title compound as an oil. NMR (400 MHz, MeOD) delta 7.56 (s, 1H),7.42 (d, 1H), 5.96 (d, 1H), 5.89 (s, 1H), 4.59 (s, 2H), 4.15 - 5.1 1 (m, 1H), 4.04 - 4.01 (m, 1H), 3.81 (s, 3H), 3.63 (s, 3H), 2.66 (s, 3H), 1.95 - 1.89 (m, 1H), 1.61 - 1.53 (m, 1H), 1.01- 0.95 (m, 2H); LRMS m/z (M+H) 387.1 found, 387.15 required.

References: [1]Patent: WO2014/139150,2014,A1 .Location in patent: Page/Page column 36; 37.
[2]Patent: WO2014/150114,2014,A1 .Location in patent: Page/Page column 36; 37.

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[ 63139-97-9 ]
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