tert-Butyl 5-chloro-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate

Name: tert-Butyl 5-chloro-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 849106-20-3
Cat. No. CS-0091555
Purity≥97%
MDL No.MFCD24849714

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 5-chloro-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate|CS-0091555

Structure of 849106-20-3

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Description

tert-Butyl 5-chloro-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate features a spirocyclic architecture integrating an isobenzofuran moiety with a piperidine ring, delivering a rigid, electron-deficient scaffold. This bench-stable intermediate supports efficient access to complex heterocycles in medicinal chemistry and target-oriented synthesis.

Application

tert-Butyl 5-chloro-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate serves as a versatile spirocyclic building block for medicinal chemistry and natural product synthesis. The molecule combines a chlorinated isobenzofuran core with a piperidine tether, enabling site-specific functionalization via nucleophilic substitution or metal-catalyzed coupling. Its tert-butyl carbamate group offers excellent bench stability and convenient deprotection under mild acidic conditions. The embedded ketone supports downstream transformations including reductive amination and enolate chemistry, facilitating access to complex heterocyclic scaffolds relevant to API development.

General Information

CAS No. 849106-20-3
Cat. No. CS-0091555
Purity ≥97%
MDL No. MFCD24849714
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₀ClNO₄
Molecular Weight 337.80
Synonym(s) tert-butyl 5-chloro-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxylate
SMILES O=C(N1CCC2(CC1)OC(C3=C2C=CC(Cl)=C3)=O)OC(C)(C)C

Computational Chemistry Data

TPSA 55.84
LogP 3.7366
H_Acceptors 4
H_Donors 0
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 Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Spirol Rings compounds

Key Words

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tert-Butyl 5-chloro-3-oxo-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxylate

CAS No. 849106-20-3

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