7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chlor
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![7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chlor structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/72d450fd095549db83dd5e7fba137c66.png "7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chlor")
7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chlor
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CAS No:
1211443-61-6
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Formula:
C14H17ClN4O
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Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chlor
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Synonyms:
2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chloro-7-cyclopentyl-N,N-diMethyl-;SCHEMBL1990321;BCP10873;CS-B1515;MFCD20527881;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;AKOS026674082;ZINC117720372;ACN-040730
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CAS No:
Safety Information
|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chlor Use and Manufacturing
A three-necked flask was charged with 5 (26.57 g, 100 mmol)And N, N-dimethylformamide (133 mL) were added, the mixture was cooled to 0-5 ° C while stirring, EDCI (23.00 g, 120 mmol) was added, A solution of dimethylamine in tetrahydrofuran (2.0 M, 75 mL, 150 mmol) was added. Triethylamine (20.24 g, 200 mmol) was added dropwise and the mixture was stirred at 20-25 ° C for 6-8 hours.The reaction mixture was extracted with ethyl acetate (133 mL) three times and the combined organic phases washed twice with brine (133 mL), dried over anhydrous sodium sulfate and concentrated. Compound A was isolated by column chromatography on a mixture of dichloromethane and methanol (26.93 g , 92percent).2-Chloro-7-cyclopentyl-7H-pyrrolo[2, 3-d]pyrimidine-6-carboxylic acid (1.07g, 4.03mmol), HBTU (1.53g, 4.03mmol) and diisopropylethylamine (2mL, 12.1mmol) are dissolves in dimethylformamide (20 mL). 2 M solution of dimethylamine in ethanol (2.4mL, 4.8 mmol) is added and the mixture is stirred for 30 minutes to achieve complete conversion. The reaction mixture is diluted with ethyl acetate and washed with saturated aqueous sodium hydrogen carbonate, water, then brine. The organic phase is dried (NaA stirring solution of 6-chloro-l-cyclopentyl-l, 5, 7-triaza-lH-indene-2-carboxylic acid (199 mg, 0.75 mmol) and triethylamine (631 L, 4.5 mmol) in DMF (4 mL) was treated with HBTU (427 mg, 1.13 mmol) in one portion. The resulting mixture was stirred at room temperature for 30 minutes. Dimethylamine hydrochloride salt (122 mg, 1.50 mmol) was added in one portion and the resulting solution was stirred at room temperature overnight. Next morning, LCMS analysis indicated clean conversion to product (m/z = 293.4). The reaction mixture was diluted with EtOAc, transferred to a separatory funnel and washed with 0.1 N HC1 aqueous and brine. The organics were dried over anhydrous MgS0
Computed Properties
Molecular Weight:292.76
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:292.1090889
Monoisotopic Mass:292.1090889
Topological Polar Surface Area:51
Heavy Atom Count:20
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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7H-Pyrrolo[2,3-d]pyriMidine-6-carboxaMide, 2-chlor
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