3-Amino-5,5-dimethylcyclohex-2-en-1-one

Name: 3-Amino-5,5-dimethylcyclohex-2-en-1-one
Brand: ChemScene
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CAS No. 873-95-0
Cat. No. CS-0199484
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-Amino-5,5-dimethylcyclohex-2-en-1-one|CS-0199484

Structure of 873-95-0

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Description

3-Amino-5,5-dimethylcyclohex-2-en-1-one features a conjugated enone system paired with a primary amine, enabling direct participation in nucleophilic additions and condensation reactions. The sterically hindered dimethyl groups stabilize the enone moiety under standard conditions, while the amino functionality facilitates downstream derivatization in synthetic sequences. This scaffold serves as a key intermediate in the construction of nitrogen-containing heterocycles and bioactive molecule frameworks.

Application

3-Amino-5,5-dimethylcyclohex-2-en-1-one serves as a versatile building block in medicinal chemistry, enabling access to nitrogen-containing heterocycles and functionalized carbocycles. Its enone functionality supports Michael additions and conjugate reductions, while the amino group offers direct derivatization potential. The dimethyl substitution enhances steric shielding and bench stability, facilitating purification and handling in multi-step syntheses.

General Information

CAS No. 873-95-0
Cat. No. CS-0199484
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₃NO
Molecular Weight 139.19
Synonym(s) 3-Amino-5,5-dimethyl-2-cyclohexen-1-one
SMILES CC1(C)CC(=CC(=O)C1)N

Computational Chemistry Data

TPSA 43.09
LogP 1.2181
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

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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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Other Classifications

Building Blocks Skeleton Fatty ring compounds Other fatty ring compounds

Key Words

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3-Amino-5,5-dimethylcyclohex-2-en-1-one

CAS No. 873-95-0

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