2,2-Dimethyl-3-oxobutanenitrile

Name: 2,2-Dimethyl-3-oxobutanenitrile
Brand: ChemScene
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CAS No. 37719-02-1
Cat. No. CS-0006089
Purity≥97%
MDL No.MFCD18827245

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Type	HazMat Fee
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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2,2-Dimethyl-3-oxobutanenitrile|CS-0006089

Structure of 37719-02-1

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Description

2,2-Dimethyl-3-oxobutanenitrile features a sterically hindered α,β-unsaturated nitrile system with a ketone group at the β-position. This configuration enables direct participation in Michael additions and aldol-type condensations under mild conditions. The compound exhibits enhanced stability due to steric protection of the reactive enone moiety, facilitating handling and integration into multi-step synthetic sequences without decomposition.

Application

2,2-Dimethyl-3-oxobutanenitrile serves as a versatile synthon in organic synthesis, enabling efficient construction of substituted β-keto nitriles and heterocyclic scaffolds. Its α,α-dimethyl substitution enhances bench stability and facilitates purification, while the dual electrophilic functionalities (nitrile and ketone) support diverse transformations including nucleophilic additions and cyclizations. Functions effectively in standard condensation and coupling protocols.

General Information

CAS No. 37719-02-1
Cat. No. CS-0006089
Purity ≥97%
MDL No. MFCD18827245
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₉NO
Molecular Weight 111.14
Synonym(s) Butanenitrile, 2,2-dimethyl-3-oxo- (9CI)
SMILES CC(C(C)(C)C#N)=O

Computational Chemistry Data

TPSA 40.86
LogP 1.12518
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS06
Signal Word : Danger	UN#: 3273
Class : 3,6.1	Packing Group : Ⅱ
Hazard Statements : H225-H301-H312-H315-H319-H332-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-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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2,2-Dimethyl-3-oxobutanenitrile

CAS No. 37719-02-1

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