5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)-
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![5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8eed9bf27e6b43cc95700ee906ca844f.png "5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)-")
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)-
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CAS No:
1441673-92-2
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Formula:
C12H19NO4.K
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Chemical Name:
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)-
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Synonyms:
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid,5-(1,1-dimethylethyl) ester,potassium salt (1:1),(6S)-
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CAS No:
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)- Basic Attributes
241.28356
279.087
0
5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)- Use and Manufacturing
E. Potassium Salt Formation [0237] Carboxylic acid 4 (219 g) was dissolved in 2-MeTHF (880 mL) and then the solution was heated to about 35° C. 1.0 M tBuOK solution in THF (1.05 L) was slowly added such that the internal temperature did not exceed 40° C. The slurry was agitated for about 30 minutes and then slowly cooled to about 20° C. over about 2 hours. The slurry was aged at 20° C. for 1 h and then filtered. The cake was washed with 2-MeTHF (715 mL). The solids were dried in a vacuum oven for 24 h at 40° C. The final product 10 was isolated as a white solid (212 g, 86percent). At room temperature, To a solution of compound 6 (13 g, 54 mmol) in THF (90 ml) was added potassium tert-butoxide (6.7 g, 60 mmol), the temperature was raised to 40 ° C, stirred for 2 hours, slowly cooled to 10 ° C, The temperature of stirring for 4 hours, a large number of solid precipitation, suction filtration, drying, white solid 13g, yield: 86percent.
Computed Properties
Molecular Weight:279.37
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:279.08728954
Monoisotopic Mass:279.08728954
Topological Polar Surface Area:69.7
Heavy Atom Count:18
Complexity:360
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, potassium salt (1:1), (6S)-
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