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Tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate is a chemical compound with the molecular formula C12H21N3O2. It is a derivative of 3,8-diazabicyclo[4.2.0]octane (DABCO), which is commonly used as a catalyst in organic synthesis. The tert-butyl group is a bulky substituent that can influence the reactivity and selectivity of the compound. This particular derivative is likely to have applications in organic and medicinal chemistry as a chiral catalyst or as a building block for the synthesis of more complex molecules. The presence of the carboxylate group also suggests that tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate could have potential as a prodrug, allowing for the controlled release of the active molecule in a biological system. Overall, tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate is a versatile and potentially valuable chemical compound with a range of possible applications.

848591-80-0

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848591-80-0 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate is used as a chiral catalyst in organic synthesis for its ability to influence the reactivity and selectivity of reactions, leading to the formation of enantioselective products.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate is used as a building block for the synthesis of more complex molecules, potentially contributing to the development of new pharmaceuticals.
Used in Prodrug Development:
Tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate is used as a prodrug in pharmaceutical formulations, allowing for the controlled release of the active molecule in a biological system, which can improve the drug's efficacy and reduce side effects.
Used in Chemical Research:
tert-butyl 3,8-diazabicyclo[4.2.0]octane-8-carboxylate is also utilized in chemical research for studying the effects of bulky substituents on the reactivity and selectivity of catalysts, contributing to the advancement of synthetic methodologies and the understanding of reaction mechanisms.

Check Digit Verification of cas no

The CAS Registry Mumber 848591-80-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,8,5,9 and 1 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 848591-80:
(8*8)+(7*4)+(6*8)+(5*5)+(4*9)+(3*1)+(2*8)+(1*0)=220
220 % 10 = 0
So 848591-80-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-12-6-9(8)13/h8-9,12H,4-7H2,1-3H3

848591-80-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 4,7-diazabicyclo[4.2.0]octane-7-carboxylate

1.2 Other means of identification

Product number -
Other names 3,8-Diaza-bicyclo[4.2.0]octane-8-carboxylic Acid Tert-Butyl Ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:848591-80-0 SDS

848591-80-0Relevant academic research and scientific papers

Substituted diazabicycloakane derivatives

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Page/Page column 21, (2010/02/11)

Compounds of formula (I) Z-Ar1—Ar2??(I) wherein Z is a diazabicyclic amine, Ar1 is a 5- or 6-membered aromatic ring, and Ar2 is selected from an unsubstituted or substituted 5-membered heteroaryl ring; an unsubstituted or substituted 6-membered heteroaryl ring; 3,4-(methylenedioxy)phenyl; and phenyl substituted with 0, 1, 2, or 3 substituents in the meta- or para-positions. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods for using such compounds and compositions.

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