1-Acetyl-2-azepanone

Basic Information

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CAS Number

1888-91-1

Molecular Formula

C8H13NO2

Molecular Weight

155.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Boiling Point

134°C/26mmHg

Refractive Index

n20/D 1.489(lit.)

SMILES

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CC(=O)N1CCCCCC1=O

InChI

InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3

InChIKey

QISSLHPKTCLLDL-UHFFFAOYSA-N

LogP

0.9355

Topological Polar Surface Area

37.38 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

177

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

N-Acetyl-2-oxohexamethyleneimine
FT-0629803
D78073
CHEBI:182373
UNII-171CCE77J8
N-Acetylcaprolactam, 99%
AKOS015903500
NSC522408
DTXSID1062041
CS-0155036
InChI=1/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H
1-Acetylhexahydro-2H-azepin-2-one
ZINC ACEXAMATE IMPURITY C [EP IMPURITY]
AS-62131
?N-Acetylcaprolactam
N-Acetyl-6-hexanolactone
NSC 522408
N-Acetyl-.epsilon.-caprolactam
QISSLHPKTCLLDL-UHFFFAOYSA-N
A0081
N-Acetylcaprolactam
NS00021794
BRN 0119598
CHEMBL12355
ACTIVATOR O
EINECS 217-565-6
SCHEMBL18566
AI3-39193
N-Acetylhexanelactam
1-Acetyl-hexahydro-2H-azepin-2-one
5-21-06-00460 (Beilstein Handbook Reference)

MDL Number

MFCD00003262

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 1-Acetyl-2-azepanone (CAS: 1888-91-1)?

1-Acetyl-2-azepanone (CAS: 1888-91-1) is a colorless liquid with a molecular weight of approximately 164.24 g/mol. It has a high solubility in common organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with strong bases or acids. It is often used in organic synthesis due to its reactivity and unique functional groups.

How is 1-Acetyl-2-azepanone (CAS: 1888-91-1) typically synthesized?

1-Acetyl-2-azepanone (CAS: 1888-91-1) is commonly synthesized by the condensation of cyclohexanone and acetyl chloride in the presence of a catalyst such as pyridine. The reaction typically yields 1-Acetyl-2-azepanone with good selectivity and high yield under mild conditions.

What industries use 1-Acetyl-2-azepanone (CAS: 1888-91-1)?

1-Acetyl-2-azepanone (CAS: 1888-91-1) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also used in the polymer industry to improve the performance of certain polymers. Additionally, it has applications in the sensor industry for its unique functional groups and in semiconductor manufacturing due to its reactivity.

What precautions should be taken when handling 1-Acetyl-2-azepanone (CAS: 1888-91-1)?

When handling 1-Acetyl-2-azepanone (CAS: 1888-91-1), it is important to use personal protective equipment (PPE) such as gloves and safety glasses. This compound should be stored in a cool, dry place away from strong acids and bases. Spills should be handled with appropriate fume hoods and proper disposal methods, and safety data sheets (SDS) should be referenced for detailed information on handling and emergency procedures.