6,6-Dimethyl-3-Azabicyclo[3.1.0]hexane-2,4-dione

Name: 6,6-Dimethyl-3-Azabicyclo[3.1.0]hexane-2,4-dione
Brand: ChemScene
Availability: InStock
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CAS No. 194421-56-2
Cat. No. CS-M1916
Purity≥97%
MDL No.MFCD12923551

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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6,6-Dimethyl-3-Azabicyclo[3.1.0]hexane-2,4-dione|CS-M1916

Structure of 194421-56-2

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General Information

CAS No. 194421-56-2
Cat. No. CS-M1916
Purity ≥97%
MDL No. MFCD12923551
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉NO₂
Molecular Weight 139.15
Synonym(s) 3,3-Dimethylcyclopropane-1,2-dicarboximide
SMILES O=C1C(C(C)2C)C2C(N1)=O

Description

6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione features a rigid bicyclic core with two ketone functionalities and a nitrogen atom at the bridgehead position. The geminal dimethyl groups enhance steric shielding around the reactive carbonyl centers, improving stability under standard handling conditions. This structural motif enables direct incorporation into complex molecular architectures without requiring extensive protection strategies.

Application

6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione serves as a rigid, bicyclic β-diketone scaffold enabling controlled enolization and metal coordination. Its sterically encumbered dimethyl groups enhance stability and modulate reactivity, facilitating use in transition-metal-catalyzed cyclizations and as a building block for nitrogen-containing heterocycles. The molecule exhibits excellent bench stability and compatibility with standard purification techniques, making it a practical choice for medicinal chemistry libraries and synthetic route development.

Synthesis

Route1
- In-stock
  
  67911-21-1
- ~%
- In-stock
  
  194421-56-2
References
- ARCH PHARMALABS LIMITED; SHINDE, Anant Dharma; CHAUDARI, Bapu Atmaram; PAI, Ganesh Gurpur; MANDAL, Arun Kanti; RANBHAN, Kamlesh Jayantilal; SONAANE, Sachin Ulhas; SARJEKAR, Pushpalata Bakrishna Patent: WO2012/49688 A1, 2012 ; Location in patent: Page/Page column 37 ; WO 2012/049688 A1
Route2
- 62565-27-9
- ~83%
- In-stock
  
  194421-56-2
References
- Mackman, Richard L.; Micklefield, Jason; Block, Michael H.; Leeper, Finian J.; Battersby, Alan R. Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 14 p. 2111 - 2122

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 46.17
LogP -0.085
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Key Words

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6,6-Dimethyl-3-Azabicyclo[3.1.0]hexane-2,4-dione

CAS No. 194421-56-2

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