tert-Butyl 5-bromovalerate

Name: tert-Butyl 5-bromovalerate
Brand: ChemScene
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CAS No. 88987-42-2
Cat. No. CS-0041680
Molecule weight237.13
Purity≥96%
MDL No.MFCD26398445

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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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General Information

CAS No. 88987-42-2
Cat. No. CS-0041680
Purity ≥96%
MDL No. MFCD26398445
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₇BrO₂
Molecular Weight 237.13
Synonym(s) None
SMILES BrCCCCC(OC(C)(C)C)=O

Description

tert-Butyl 5-bromovalerate is a bench-stable, moisture-tolerant ester featuring a brominated aliphatic chain. This reagent enables straightforward incorporation of bromine functionality into synthetic intermediates, facilitating downstream cross-coupling reactions. The tert-butyl group enhances stability and simplifies purification, while the primary bromide site offers high reactivity in palladium-catalyzed transformations.

Application

tert-Butyl 5-bromovalerate serves as a versatile bromoalkyl building block for C–C bond formation via cross-coupling reactions. Its tert-butyl ester functionality provides enhanced bench stability and facilitates straightforward deprotection under mild acidic conditions. The molecule exhibits excellent functional group tolerance and enables efficient access to linear alkyl chains in synthetic intermediates, making it well-suited for medicinal chemistry and process-scale applications.

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 26.3
LogP 2.8933
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Life Science PROTAC PROTAC Linker

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Proteolysis Targeting Chimera Research Reagents

Biochemistry Pharmaceutical Development and Drug Discovery Research Proteolysis Targeting Chimera Research Reagents

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tert-Butyl 5-bromovalerate

CAS No. 88987-42-2

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