Methyl 1-methoxy-4-oxocyclohexane-1-carboxylate

Name: Methyl 1-methoxy-4-oxocyclohexane-1-carboxylate
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CAS No. 1622928-67-9
Cat. No. CS-0100073
Molecule weight186.21
Purity≥97%
MDL No.MFCD30536531

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Methyl 1-methoxy-4-oxocyclohexane-1-carboxylate|CS-0100073

Structure of 1622928-67-9

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General Information

CAS No. 1622928-67-9
Cat. No. CS-0100073
Purity ≥97%
MDL No. MFCD30536531
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₄O₄
Molecular Weight 186.21
Synonym(s) methyl 1-methoxy-4-oxocyclohexanecarboxylate
SMILES O=C(C1(OC)CCC(CC1)=O)OC

Description

Methyl 1-methoxy-4-oxocyclohexane-1-carboxylate features a strained cyclohexanone core with a methoxy-substituted carbonyl, enabling selective functionalization at the C1 position. The ester group enhances solubility in organic solvents and facilitates downstream transformations under standard conditions. This configuration supports efficient access to complex cyclic architectures in synthetic and medicinal chemistry applications.

Application

Methyl 1-methoxy-4-oxocyclohexane-1-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclohexane scaffolds. Its conjugated enone system and orthogonal functionality support selective reductions, nucleophilic additions, and metal-catalyzed couplings. The molecule exhibits bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and natural product derivatization.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 52.6
LogP 0.6877
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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Methyl 1-methoxy-4-oxocyclohexane-1-carboxylate

CAS No. 1622928-67-9

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