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ChemicalBook > Product Catalog >Organic Chemistry >Carboxylic acids and derivatives >tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Structure
CAS No.
869494-16-6
Chemical Name:
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
Synonyms
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;DM1Impurity14;3,6-DiazabicycL;o[3.1.1]heptane-6-carboxyL;6-Boc-3,6-diaza-bicyclo[3.1.1]heptane;6-(tert-Butyloxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane;tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 97%;3,6-Diazbiclo[.1.1]heptane-6-carboxylic acid tert-butyl ester;(1R,5S)-tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;tert-Butyl (1S,5R)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CBNumber:
CB12534807
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.26
MOL File:
869494-16-6.mol
Modify Date:
2024/9/18 15:08:24
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tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Properties

Boiling point 276℃
Density 1.104
Flash point 121℃
storage temp. 2-8°C(protect from light)
pka 9.53±0.20(Predicted)
form solid
color White to off-white
InChI InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7/h7-8,11H,4-6H2,1-3H3
InChIKey OUFBVDKNEWUFHP-UHFFFAOYSA-N
SMILES C12CC(N1C(OC(C)(C)C)=O)CNC2

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P280-P301+P312-P261
HS Code  2933599590

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Chemical Properties,Uses,Production

Synthesis

To a stirred solution of 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[(2-nitrophenyl)sulfonyl]-, 1,1-dimethylethyl ester (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 tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate as a white solid; Yield, 167 mg (81percent)

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Suppliers

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Neochemsys Laboratories Pvt Ltd +918498007788 Hyderabad, India 93 58 Inquiry
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Supplier Advantage
Neochemsys Laboratories Pvt Ltd 58
Gagri Global IT Services Pvt. Ltd. 58
CLEARSYNTH LABS LTD. 58
A.J Chemicals 58
Lianhe Aigen Pharmatech Co.,Ltd. 58
Henan Fengda Chemical Co., Ltd 58
Capot Chemical Co.,Ltd. 60
Shanghai Daken Advanced Materials Co.,Ltd 58
ATK CHEMICAL COMPANY LIMITED 60
Shenzhen Nexconn Pharmatechs Ltd 58

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Spectrum

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester(869494-16-6)1HNMR

869494-16-6(tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate)Related Search:

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tert-Butyl 2,6-diazaspiro[3.5]nonane-6-carboxylate tert-Butyl 4-(pyrrolidin-3-yl)piperidine-1-carboxylate Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI) tert-butyl 6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate Carbamic acid, [(1R,3S)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)
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3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester 6-(tert-Butyloxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane (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 3,?6-?Diazabicyclo[3.1.1]?heptane-?6-?carboxylic acid, 1,?1-?dimethylethyl ester 869494-16-6 tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate 97% o[3.1.1]heptane-6-carboxyL 3,6-DiazabicycL tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate DM1Impurity14 36-Diazabicyclo131.1heptan e-6-carboxylic acid tert-butyl ester 3,6-Diazbiclo[.1.1]heptane-6-carboxylic acid tert-butyl ester 869494-16-6