Oxepan-4-one

Name: Oxepan-4-one
Brand: ChemScene
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CAS No. 62643-19-0
Cat. No. CS-0037287
Molecule weight114.14
Purity≥95%
MDL No.MFCD20484206

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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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Structure of 62643-19-0

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General Information

CAS No. 62643-19-0
Cat. No. CS-0037287
Purity ≥95%
MDL No. MFCD20484206
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₁₀O₂
Molecular Weight 114.14
Synonym(s) 4-Oxepanone
SMILES C1CC(=O)CCOC1

Description

Oxepan-4-one is a seven-membered cyclic ketone featuring a carbonyl group at the 4-position, offering a strained, electron-deficient ring system ideal for nucleophilic addition and ring-opening reactions. This scaffold enables efficient integration into complex molecular architectures, particularly in medicinal chemistry and natural product synthesis, where its reactivity profile supports selective functionalization under mild conditions.

Application

Oxepan-4-one serves as a versatile bicyclic lactone scaffold for synthetic medicinal chemistry, enabling direct access to bioactive heterocycles. Its strained ring system facilitates nucleophilic ring-opening reactions with amines, alcohols, and thiols under mild conditions, offering efficient routes to functionalized analogs. The compound exhibits good bench stability and compatibility with common protecting groups, supporting its use in multi-step syntheses and library diversification.

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 : H225
Precautionary Statements : P210-P243-P273-P403

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Computational Chemistry Data

TPSA 26.3
LogP 0.756
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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Oxepan-4-one

CAS No. 62643-19-0

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