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

Uses

Product Name: tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
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-Boc-3,6-diaza-bicyclo[3.1.1]heptane - [D13996];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;1,1-Dimethylethyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CBNumber: CB12534807
Molecular Formula: C10H18N2O2
Formula Weight: 198.26
MOL File: 869494-16-6.mol

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

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

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Safety

HS Code: 2933599590

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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N-Bromosuccinimide Price

TRC

Product number: B789735
Product name: tert-Butyl3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
Packaging: 250mg
Price: $40
Updated: 2021/12/16

Usbiological

Product number: 263598
Product name: 6-Boc-3,6-diazabicyclo[3.1.1]heptane
Packaging: 50mg
Price: $509
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB29383
Product name: 6-Boc-3,6-diazabicyclo[3.1.1]heptane
Packaging: 500mg
Price: $400
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB29383
Product name: 6-Boc-3,6-diazabicyclo[3.1.1]heptane
Packaging: 1g
Price: $500
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0394022
Product name: TERT-BUTYL-3,6-DIAZABICYCLO[3.1.1]HEPTANE-6-CARBOXYLATE
Purity: 95.00%
Packaging: 5MG
Price: $503.81
Updated: 2021/12/16

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

Uses

6-(tert-Butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane can be used as an organic synthesis intermediate, primarily for synthesizing piperidine drug molecules with a bridged bicyclic structure. Bridging bicyclic piperazines is an important component in medicinal chemistry research. Among them, the bicyclic piperazine 6-(tert-Butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane is achiral, and based on its cLogP derivative analogues, it exhibits lipophilicity similar to piperazines, making it a suitable starting material for the synthesis of various drugs.

Chemical Properties

6-(tert-butoxycarbonyl)-3,6-diazabicyclo[3.1.1]heptane is a white or off-white solid at room temperature and pressure, insoluble in water, and because of the molecule contains two nitrogen atoms, these nitrogen atoms can accept protons and show a certain degree of basicity. It is soluble in acidic aqueous solutions.

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)

References

[1] Tetrahedron Letters, 2012, vol. 53, # 47, p. 6332 - 6334

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

Raw materials

Preparation Products

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

China 159 India 4 United Kingdom 2 United States 8 Global 173

Chunchuang (Wuhan) Technology Co., Ltd

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Shanghai Topbiochem Technology Co., Ltd

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View Lastest Price from tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate manufacturers

Henan Aochuang Chemical Co.,Ltd.

Product: 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester 869494-16-6
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-08

Henan Fengda Chemical Co., Ltd

Product: 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester 869494-16-6
Price: US $5.00-0.10/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: g-kg-tons, free sample is available
Release date: 2024-04-09

Career Henan Chemical Co

Product: 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester 869494-16-6
Price: US $9.80/KG
Min. Order: 1KG
Purity: ≥98%
Supply Ability: 20 tons
Release date: 2020-01-10

869494-16-6, tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylateRelated Search:

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

(1R,5S)-tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

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tert-Butyl (1S,5R)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

6-Boc-3,6-diaza-bicyclo[3.1.1]heptane

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 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

DM1Impurity14

36-Diazabicyclo131.1heptan e-6-carboxylic acid tert-butyl ester

3,6-Diazbiclo[.1.1]heptane-6-carboxylic acid tert-butyl ester

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1,1-Dimethylethyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

869494-16-6