Methyl 4-methyl-4-nitropentanoate

Name: Methyl 4-methyl-4-nitropentanoate
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CAS No. 16507-02-1
Cat. No. CS-0163759
Purity≥97%
MDL No.MFCD00047757

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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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Methyl 4-methyl-4-nitropentanoate|CS-0163759

Structure of 16507-02-1

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Description

Methyl 4-methyl-4-nitropentanoate features a sterically hindered α-carbon flanked by a nitro group and a methyl substituent, enabling stable incorporation into complex synthetic sequences. This electron-deficient ester serves as a key building block for nitrogen-containing heterocycles and C–C bond formation under mild conditions.

Application

Methyl 4-methyl-4-nitropentanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aliphatic chains and heterocyclic scaffolds. Its α-alkylated nitro group facilitates controlled reduction and subsequent cyclization reactions, while the ester functionality supports selective transformations. The compound exhibits good bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

General Information

CAS No. 16507-02-1
Cat. No. CS-0163759
Purity ≥97%
MDL No. MFCD00047757
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₃NO₄
Molecular Weight 175.18
Synonym(s) Valeric acid, 4-methyl-4-nitro-, methyl ester
SMILES CC([N+]([O-])=O)(C)CCC(OC)=O

Computational Chemistry Data

TPSA 69.44
LogP 0.9949
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 4

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Key Words

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Methyl 4-methyl-4-nitropentanoate

CAS No. 16507-02-1

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