2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

Name: 2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
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CAS No. 1253924-71-8
Cat. No. CS-0142117
Purity≥98%
MDL No.MFCD22375530

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2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one|CS-0142117

Structure of 1253924-71-8

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General Information

CAS No. 1253924-71-8
Cat. No. CS-0142117
Purity ≥98%
MDL No. MFCD22375530
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₄F₃N₃O₂
Molecular Weight 313.28
Synonym(s) 4-Oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-ene, 4-(4-Oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)-alpha,alpha,alpha-trifluoroanisole
SMILES O=C1NC(C2=CC=C(OC(F)(F)F)C=C2)=NC13CCNCC3

Description

This spirocyclic ketone features a trifluoromethoxy-substituted phenyl ring integrated into a rigid 1,3,8-triazaspiro[4.5]dec-1-en-4-one framework, delivering enhanced metabolic stability and targeted electronic properties for use in medicinal chemistry lead optimization.

Application

2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one serves as a versatile spirocyclic building block in medicinal chemistry, enabling efficient access to complex heterocyclic scaffolds. Its conjugated enone system facilitates Michael additions and nucleophilic transformations, while the trifluoromethoxy group enhances metabolic stability and modulates lipophilicity. The triazaspiro framework provides structural rigidity and three-dimensional character, advantageous for target engagement in CNS and oncology drug discovery. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step synthetic sequences.

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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Computational Chemistry Data

TPSA 62.72
LogP 1.5838
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Imidazoline compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

CAS No. 1253924-71-8

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