4-Methyl-3-oxopentanenitrile

CAS No. 29509-06-6
Cat. No. CS-0044094
Purity≥97%
MDL No.None

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Description

4-Methyl-3-oxopentanenitrile features a conjugated enone-nitrile system enabling efficient Michael addition and aldol-type cyclizations. The α,β-unsaturated carbonyl motif pairs with the nitrile group to facilitate tandem reactions in synthetic pathways. This compound serves as a key building block for heterocyclic scaffolds and complex natural product analogs under mild conditions.

Application

4-Methyl-3-oxopentanenitrile serves as a versatile synthon in organic synthesis, enabling efficient construction of substituted pyrrolidines and other nitrogen-containing heterocycles via Michael addition or cyclization cascades. Its α,β-unsaturated nitrile functionality exhibits robust reactivity with nucleophiles under mild conditions, while the ketone group provides orthogonal handling for subsequent functionalization. Bench-stable and readily purified by distillation, it functions effectively in multi-step sequences requiring compatibility with diverse reaction conditions.

General Information

CAS No. 29509-06-6
Cat. No. CS-0044094
Purity ≥97%
MDL No. None
Storage -20°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₉NO
Molecular Weight 111.14
Synonym(s) Isopropyl cyanomethylketone
SMILES CC(C)C(=O)CC#N

Computational Chemistry Data

TPSA 40.86
LogP 1.12518
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Fatty chain compounds

Key Words

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4-Methyl-3-oxopentanenitrile

CAS No. 29509-06-6

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