92001-52-0|6-Chloro-8-methyl-9H-purine| Ambeed

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Quality Control of [ 92001-52-0 ] Purity: 95+% SDS Specification

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NMR

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Product Details of [ 92001-52-0 ]

CAS No. :	92001-52-0
Formula :	C₆H₅ClN₄
M.W :	168.58
SMILES Code :	CC1=NC2=C(N1)N=CN=C2Cl
MDL No. :	MFCD00234163
InChI Key :	MZYQXIIORWCBHF-UHFFFAOYSA-N
Pubchem ID :	5408998

Safety of [ 92001-52-0 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302
Precautionary Statements:	P280-P305+P351+P338

Application In Synthesis of [ 92001-52-0 ]

* 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 [ 92001-52-0 ]

[ 92001-52-0 ] Synthesis Path-Downstream 1~31

1
[ 50609-15-9 ]
[ 92001-52-0 ]

Yield	Reaction Conditions	Operation in experiment
6%		Step 1: 6-chloro-8-methyl-9H-purine A solution of N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide (330 mg, 1.92 mmol, 1.00 equiv, 98%) in phosphorus oxychloride (5 mL) was refluxed overnight. The resulting mixture was concentrated under vacuum. The residue was redissolved in 10 mL of ethyl acetate, washed with 10 mL of saturated aqueous sodium bicarbonate solution, 1×10 mL of water and 1×10 mL of brine. The organic layer was dried over anhydrous sodium sulfate and concentrated under vacuum to give 20 mg (6%) of 6-chloro-8-methyl-9H-purine as a yellow solid.

References: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 879 - 885.
[2]Patent: US2012/202785,2012,A1 .Location in patent: Page/Page column 262.

2
[ 105-57-7 ]
[ 92001-52-0 ]
[ 92001-56-4 ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 879 - 885.

4
[ 239784-24-8 ]
[ 92001-52-0 ]

References: [1]Synthesis,2004,p. 889 - 894.

5
[ 218431-07-3 ]
[ 92001-52-0 ]

References: [1]Synthesis,2004,p. 889 - 894.

6
[ 92001-52-0 ]
[ 92001-64-4 ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 879 - 885.

7
[ 92001-52-0 ]
[ 92001-60-0 ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 879 - 885.

8
[ 73874-95-0 ]
[ 92001-52-0 ]
C₁₆H₂₄N₆O₂ [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 2147 - 2157.

9
[ 1393176-03-8 ]
[ 92001-52-0 ]
[ 1393180-99-8 ]

Yield	Reaction Conditions	Operation in experiment
30%	With N-ethyl-N,N-diisopropylamine; In butan-1-ol; at 130.0℃;	Step 2: A solution of (1S)-1-(1-phenyl-1H-1,3-benzodiazol-2-yl)ethan-1-amine from Example 4 (150 mg, 0.62 mmol, 1.00 equiv, 98%), <strong>[92001-52-0]6-chloro-8-methyl-9H-purine</strong> (150 mg, 0.87 mmol, 1.41 equiv) and ethylbis(propan-2-yl)amine (0.3 mL, 98%) in butan-1-ol (6 mL) was stirred overnight at 130 C. The resulting mixture was concentrated under vacuum. The residue was purified on a C18 column eluted with water/acetonitrile to give 75 mg (30%) of 158 as a white solid. LC-MS (ES, m/z) 370 [M+H]+. H-NMR (300 MHz CD3OD, ppm) delta 8.04 (s, 1H), 7.69 (d, 1H), 7.55 (m, 5H), 7.30 (m, 2H), 7.11 (d, 1H), 5.63 (s, 1H), 2.55 (s, 3H), 1.71 (d, 3H)

References: [1]Patent: US2012/202785,2012,A1 .Location in patent: Page/Page column 262.

10
[ 92001-52-0 ]
[ 179897-94-0 ]
6-(5-fluoro-2-methoxyphenyl)-8-methyl-9H-purine [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 2718 - 2736.

11
[ 89694-45-1 ]
[ 92001-52-0 ]
6-(5-bromo-2-methoxyphenyl)-8-methyl-9H-purine [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 2718 - 2736.

12
[ 4316-98-7 ]
[ 108-24-7 ]
[ 92001-52-0 ]