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3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester structure

CAS No:
869494-16-6
Formula:
C10H18N2O2
Chemical Name:
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester
Synonyms:
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester;6-(tert-Butyloxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane;tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(1R,5S)-tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 1,1-dimethylethyl ester;tert-Butyl (1S,5R)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;6-Boc-3,6-diaza-bicyclo[3.1.1]heptane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester Basic Attributes

Molecular Weight：

198

Exact Mass：

198.136826

DSSTox ID：

DTXSID20735564

HScode：

2933990090

Characteristics

PSA：

41.6

XLogP3：

0.7

Density：

1.1±0.1 g/cm3

Boiling Point：

276℃

Flash Point：

121℃

Refractive Index：

1.501

Safety Information

GHS Classification：

|Warning|H228 (50%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester Use and Manufacturing

To a stirred solution of 2f (400 mg, 1.04 mmol) in DMF (2.5 mL) were added dodecanethiol (500 µL, 2.09 mmol) and lithium hydroxide hydrate (88 mg, 2.09 mmol). The mixture was stirred at r.t. for 2 h. The mixture was diluted with hexanes-ethyl acetate (10 mL, 1:1). The mixture was extracted with aq. Hydrochloric acid (2 x 5.0 mL). The aq. layer was extracted with hexanes-ethyl acetate (10 mL, 1:1). The combined organic layers were discarded. The aq. layer was basified with NaOH (6.0 mL of 1.0 M solution) until pH=13. The aq. layer was extracted with methylene chloride-methanol (2 x 10 mL, 9:1). The organic layer was washed with brine, dried over anhydrous magnesium sulfate, filtered and concentrated in vacuo to afford 2d as a white solid; Yield, 167 mg (81percent); mp 37-40

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:237
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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6-(tert-Butyloxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane

CAS No.: 869494-16-6

Content: 99.00%

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Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
2 YRS

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Trader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVE

6-(tert-butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane869494-16-6

CAS No.: 869494-16-6

Grade: Pharmaceutical Grade

Content: 99%

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Latest News on 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester

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Guide of 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester

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