ChemicalBook > CAS DataBase List > tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Product Name: tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CAS No.: 201162-53-0
Chemical Name: tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate
Synonyms: 3-Boc-3,8-diazabicyclo[3.2.1]octane;tert-butyl 3;3-Boc-3,8-diaza-bicyclo[3...;8-diazabicyclo[3.2.1]octane-3-carboxylate;3,8-Diazabicyclo[3.2.1]octane,N-BOCprotected;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylat;tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester;3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 1,1-dimethylethyl ester
CBNumber: CB51562401
Molecular Formula: C11H20N2O2
Formula Weight: 212.29
MOL File: 201162-53-0.mol

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tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate Property

Boiling point:: 295.4±15.0 °C(Predicted)
Density: 1.076
storage temp.: 2-8°C(protect from light)
pka: 9.80±0.20(Predicted)
form: solid
color: White
InChI: InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-5-9(7-13)12-8/h8-9,12H,4-7H2,1-3H3
InChIKey: PSDAEKDIOQXLLC-UHFFFAOYSA-N
SMILES: C12NC(CC1)CN(C(OC(C)(C)C)=O)C2

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Safety

HS Code: 2933998090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

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.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

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N-Bromosuccinimide Price

TCI Chemical

Product number: D6441
Product name: tert-Butyl 3,8-Diazabicyclo[3.2.1]octane-3-carboxylate
Purity: min. 98.0 %
Packaging: 1G
Price: $67
Updated: 2025/07/31

TCI Chemical

Product number: D6441
Product name: tert-Butyl 3,8-Diazabicyclo[3.2.1]octane-3-carboxylate
Purity: min. 98.0 %
Packaging: 5G
Price: $201
Updated: 2025/07/31

TRC

Product number: B789765
Product name: tert-Butyl3,8-diazabicyclo[3.2.1]octane-3-carboxylate
Packaging: 1g
Price: $85
Updated: 2021/12/16

ChemScene

Product number: CS-W004996
Product name: 3-Boc-3,8-Diazabicyclo[3.2.1]octane
Purity: ≥98.0%
Packaging: 1g
Price: $100
Updated: 2021/12/16

AK Scientific

Product number: W4253
Product name: 3-Boc-3,8-diazabicyclo[3.2.1]octane
Packaging: 100mg
Price: $104
Updated: 2021/12/16

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tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate Chemical Properties,Usage,Production

Uses

tert-Butyl 3,8-Diazabicyclo[3.2.1]octane-3-carboxylate is used in preparation of substituted pyrrolo[2,3-b]pyridines for suppressing toxic endoplasmic reticulum stress.

Synthesis

201162-52-9

201162-53-0

The general procedure for the synthesis of tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate from tert-butyl 8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate was as follows: the product of Example 23A (0.62 g, 0.12 mmol) was dissolved in ethanol (10 mL) and palladium/carbon (Aldrich, 60 mg, 10 wt%) as a catalyst. The reaction was stirred at room temperature for 18 h under an atmosphere of hydrogen (balloon) at 1 atm. Upon completion of the reaction, the reaction mixture was filtered to remove the catalyst and the filtrate was concentrated under reduced pressure to remove the solvent. The resulting crude product was purified by silica gel column chromatography with an eluent ratio of 1% ammonia:9% methanol:90% dichloromethane to afford tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate, the target compound (0.44 g, 100% yield). Mass spectral analysis (DC1/NH3) showed m/z 213 (M + H)+.

References

[1] Journal of Medicinal Chemistry, 1998, vol. 41, # 5, p. 674 - 681
[2] Patent: US2005/101602, 2005, A1. Location in patent: Page/Page column 35
[3] Patent: US2005/9841, 2005, A1. Location in patent: Page/Page column 16
[4] Patent: US2005/80095, 2005, A1. Location in patent: Page/Page column 19

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View Lastest Price from tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: Tert-Butyl 3,8-Diazabicyclo[3.2.1]Octane-3-Carboxylate 201162-53-0
Price: US $3.90-5.90/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2025-06-12

Career Henan Chemical Co

Product: tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate 201162-53-0
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200kg
Release date: 2020-01-08

201162-53-0, tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylateRelated Search:

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tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

3-Boc-3,8-diazabicyclo[3.2.1]octane

3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester

3-Boc-3,8-diaza-bicyclo[3...

tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylat

3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 1,1-dimethylethyl ester

3,8-Diazabicyclo[3.2.1]octane,N-BOCprotected

8-diazabicyclo[3.2.1]octane-3-carboxylate

tert-butyl 3

1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester - [D6583]

201162-53-0

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