1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester
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1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester
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CAS No:
646055-62-1
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Formula:
C19H28N2O2
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Chemical Name:
1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester
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Synonyms:
1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester;1,7-Diazaspiro[4.4]nonane-7-carboxylic acid, 1-(phenylMethyl)-, 1,1-diMethylethyl ester;2-Methyl-2-propanyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxyl ate;tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
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CAS No:
1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester Basic Attributes
316.442
316.21500
1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester Use and Manufacturing
Di-t-butyl dicarbonate (1.45 g, 6.64 mmol) was added to a solution of 1-benzyl-1, 7-diazaspiro[4.4]nonane (1.30 g, 6.01 mmol) and triethylamine (1 mL) in dichloromethane (25 mL), and the mixture was stirred at ambient temperature overnight. The mixture was poured into saturated aqueous sodium bicarbonate (10 mL) and extracted with chloroform (4 x 25 mL). The extracts were dried (K2CO3) and concentrated by rotary evaporation. The residue was column chromatographed on Merck silica gel 60 (70-230 mesh), eluting with, to give 1.85 g (97.4 percent) of viscous, colorless oil, after concentration of selected fractions. Di-t-butyl dicarbonate (1.45 g, 6.64 mmol) was added to a solution of 1-benzyl-l, 7-diazaspiro[4.4]nonane (1.30 g, 6.01 mmol) and triethylamine (1 mL) in dichloromethane (25 mL), and the mixture was stirred at ambient temperature overnight. The mixture was poured into saturated aqueous sodium bicarbonate (10mL) and extracted with chloroform (4 x 25 mL). The extracts were dried (K2CO3) and concentrated by rotary evaporation. The residue was column chromatographed on Merck silica gel 60 (70-230 mesh), eluting with, to give 1.85 g (97.4percent) of viscous, colorless oil, after concentration of selected fractions
Computed Properties
Molecular Weight:316.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:316.215078140
Monoisotopic Mass:316.215078140
Topological Polar Surface Area:32.8
Heavy Atom Count:23
Complexity:426
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester
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