1,4-Oxazepane | CAS No. 5638-60-8

1,4-Oxazepane

Basic Information

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CAS Number

5638-60-8

Molecular Formula

C5H11NO

Molecular Weight

101.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

146℃

SMILES

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C1CNCCOC1

InChI

InChI=1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2

InChIKey

ZNGWEEUXTBNKFR-UHFFFAOYSA-N

LogP

-0.0037000000000000366

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

47.3

Synonyms & References

English

1,4-Oxazepane
[1,4]Oxazepane
hexahydro-1,4-Oxazepine
1,4-hexahydrooxazepine
1,4-oxazaperhydroepine
1-aza-5-oxacycloheptane
AC1Q1IAE
CTK5J7538
hexahydro-[1,4]oxazepine
homomorpholine
SureCN1635363
SureCN59122
1,4-Oxazepine, hexahydro-
[1.4]Oxazepane
1,4-Oxazepine,hexahydro-
1,4-oxazepane(SALTDATA
ZNGWEEUXTBNKFR-UHFFFAOYSA-N
8245AB
STK505473
SY023485
AB0069458
ST24020948
BB 0237295
ST50569627
1,4-oxazepane
DB-351682
BP-21298
A869962
CS-0171615
MFCD09971804
5638-60-8

MDL Number

MFCD09971804

FAQ

What are the physical and chemical properties of 1,4-Oxazepane (CAS: 5638-60-8)?

1,4-Oxazepane (CAS: 5638-60-8) is a cyclic amide with a molecular weight of approximately 96.11 g/mol. It is a colorless, crystalline solid with a high solubility in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). Chemically, 1,4-Oxazepane is moderately reactive, particularly towards nucleophiles, and can participate in acid-catalyzed rearrangements and condensation reactions.

How is 1,4-Oxazepane (CAS: 5638-60-8) typically synthesized?

1,4-Oxazepane (CAS: 5638-60-8) is typically synthesized via the condensation of 1,4-dicarbonyl compounds with primary amines in the presence of a Lewis acid catalyst. Commonly, aluminum trichloride (AlCl3) is used as the catalyst, leading to a high yield of the product under mild conditions. This synthesis method offers good control over selectivity and can be scaled up for industrial production.

What industries use 1,4-Oxazepane (CAS: 5638-60-8)?

1,4-Oxazepane (CAS: 5638-60-8) is primarily used in the pharmaceutical industry for the synthesis of complex molecules and as a building block in medicinal chemistry. It also finds applications in the polymer industry for the development of certain polymeric materials, in the sensor industry for the fabrication of gas sensors, and in the semiconductor industry for use in organic thin-film transistors (OTFTs) and other electronic devices.

What precautions should be taken when handling 1,4-Oxazepane (CAS: 5638-60-8)?

When handling 1,4-Oxazepane (CAS: 5638-60-8), it is essential to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Always consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed information on handling and storage.