Tert-butyl 3-oxoazepane-1-carboxylate

Basic Information

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CAS Number

870842-23-2

Molecular Formula

C11H19NO3

Molecular Weight

213.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

BROWN STICKY_OIL

Boiling Point

308.2℃ at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CCCCC(=O)C1

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h4-8H2,1-3H3

InChIKey

HMWANNJNYUPZPN-UHFFFAOYSA-N

LogP

1.9765

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

255

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

tert-Butyl 3-oxoazepane-1-carboxylate
N-Boc-3-azaheptan-1-one
1-Boc-3-oxoazepane
N-BOC-3-AZA-HEPTAN-1-ONE
N-Boc-3-azacycloheptan-1-one
N-BOC-3-AZA-CYCLOHEPTAN-1-ONE
PubChem23017
1-BOC-AZEPAN-3-ONE
HMWANNJNYUPZPN-UHFFFAOYSA-N
TRA0046262
PB23604
SY002716
AM804447
AB1004474
AB0027138
W8936
ST24025900
842B232
tert-butyl 3-oxo
tert-butyl 3-oxoazepane-1-carboxylate
EN300-70546
1-Boc-3-oxo-azepane
870842-23-2
MFCD08443803
3-Oxo-azepane-1-carboxylic acid tert-butyl ester
DTXSID30628534
AS-36302
CS-W003514
AKOS015908627
N-Boc-3-Aza-heptan-1-One
SCHEMBL1336913

MDL Number

MFCD08443803

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2)?

Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2) is a white crystalline solid with a molecular weight of approximately 210.33 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and acetonitrile. This compound is relatively stable under normal conditions but can react with strong bases. It is often used in organic synthesis and pharmaceutical applications.

How is Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2) typically synthesized?

Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2) can be synthesized through a two-step process involving the formation of a tert-butyl azepanone-1-carboxylate followed by a ring-opening reaction. Commonly used catalysts include Lewis acids, and the reaction is typically carried out in organic solvents at room temperature to achieve a yield of around 70-80%.

What industries use Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2)?

Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2) is primarily used in the pharmaceutical and chemical industries for the synthesis of complex molecules and as a building block for other compounds. It is also used in polymer research for the development of new materials and in the electronics industry for sensors and semiconductors.

What precautions should be taken when handling Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2)?

When handling Tert-butyl 3-oxoazepane-1-carboxylate (CAS: 870842-23-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during operations. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed emergency and handling procedures.