2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
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![2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a4e855b7e0314d66bdaf374b7bab3244.png "2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER")
2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
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CAS No:
198989-07-0
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Formula:
C10H18N2O2
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Chemical Name:
2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
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Synonyms:
N-BOC-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE;2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID;2-(tert-Butyloxycarbonyl)-2,5-diazabicyclo[2.2.1]heptane;2-Boc-2,5-diazabicyclo[2.2.1]heptane
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CAS No:
2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER Basic Attributes
198.26
198.136826
DTXSID60375403
2933990090
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER Use and Manufacturing
Di-tert-butyldicarbonate (0.38 g, 0.38 mL, 1.7 mmol) was added dropwise for 10 minutes to a cold (-30° C.) stirred solution of 2, 5-diazabicyclo[2.2.1]heptanedihydrobromide (1 g, 3.8 mmol) and triethylamine (776 mg, 1.07 mL, 7.6 mmol) in MeOH (30 mL). The reaction mixture was stirred at 25° C. for 12-16 h. The reaction mixture was concentrated under reduced pressure; diluted with water and filtered. The filtrate was extracted with DCM; the organic layer was washed with brine, dried over anhydrous sodium sulphate and concentrated under reduced pressure to afford 200 mg of the title compound as a white solid. MS (ESI): m/z 199.0 (M+H).A solution of 5-bromo-4-(4-chlorothiophen-2-yl)-thiazole-2-amine (819mg, 2.77mmol),
Computed Properties
Molecular Weight:198.26
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:198.136827821
Monoisotopic Mass:198.136827821
Topological Polar Surface Area:41.6
Heavy Atom Count:14
Complexity:247
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
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