Methyl 2-(4-oxocyclohexyl)acetate

Name: Methyl 2-(4-oxocyclohexyl)acetate
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CAS No. 66405-41-2
Cat. No. CS-W006286
Purity≥97%
MDL No.MFCD09031995

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 2-(4-oxocyclohexyl)acetate|CS-W006286

Structure of 66405-41-2

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Description

Methyl 2-(4-oxocyclohexyl)acetate features a cyclohexanone ring bearing a methylene-acetate side chain, enabling direct functionalization at the carbonyl and adjacent positions. This structural motif supports efficient synthesis of complex cyclic intermediates in natural product and pharmaceutical development. The ester group facilitates selective transformations under mild conditions.

Application

Methyl 2-(4-oxocyclohexyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclohexane derivatives. Its enone functionality supports conjugate additions, aldol reactions, and metal-catalyzed transformations, while the ester group permits selective reduction or derivatization. Bench-stable and readily purified by distillation or chromatography, it functions effectively in multi-step syntheses of pharmaceutical intermediates and natural product analogs.

General Information

CAS No. 66405-41-2
Cat. No. CS-W006286
Purity ≥97%
MDL No. MFCD09031995
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₄O₃
Molecular Weight 170.21
Synonym(s) Methyl (4-oxocyclohexyl)acetate
SMILES COC(=O)CC1CCC(=O)CC1

Computational Chemistry Data

TPSA 43.37
LogP 1.3088
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Safety Information

Download SDS

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 Ester

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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Methyl 2-(4-oxocyclohexyl)acetate

CAS No. 66405-41-2

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