3-Amino-2-cyclohexen-1-one

Basic Information

View in Editor

CAS Number

5220-49-5

Molecular Formula

C6H9NO

Molecular Weight

111.14 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 Amines

Basic Physical Properties

Melting Point

127.0 to 134.0 deg-C

Boiling Point

212.4°Cat760mmHg

Density

1.091

Flash Point

82.3°C

Refractive Index

1.558

SMILES

View in Editor

C1CC(=CC(=O)C1)N

InChI

InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2

InChIKey

ZZMRPOAHZITKBV-UHFFFAOYSA-N

LogP

0.5820000000000001

Topological Polar Surface Area

43.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

138

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

GEO-00109
3-Amino-2-cyclohexenone
HMS1763A08
SY019251
A828976
Z56899207
1R-1064
3-amino-2-cyclohexene-1-one
3-Amino-2-cyclohexen-1-one, 99%
CHEMBL443918
3-Aminocyclohex-2-en-1-one
BCP19985
NSC-106700
UNII-V596547ZKE
3-Aminocyclohexenone
STR05393
NSC106700
5220-49-5
AKOS000280641
3-aminocyclohex-enone
CS-0032855
NS00032451
3-Amino-2-cyclohexen-1-one
J-511685
1-amino- cyclohexen-3-one
DTXSID40200244
EN300-17259
2-Cyclohexen-1-one, 3-amino-
3-aminocyclohex-2-enone
V596547ZKE
1-Amino-3-oxo-1-cyclohexene

MDL Number

MFCD00013783

Customs Code

29223990

FAQ

What are the physical and chemical properties of 3-Amino-2-cyclohexen-1-one (CAS: 5220-49-5)?

3-Amino-2-cyclohexen-1-one is a colorless liquid with a molecular weight of approximately 134.17 g/mol. It has a solubility of about 174 mg/L in water and is soluble in common organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly in nucleophilic addition reactions and condensation reactions.

How is 3-Amino-2-cyclohexen-1-one (CAS: 5220-49-5) typically synthesized?

3-Amino-2-cyclohexen-1-one can be synthesized via the Wittig reaction using cyclohexenone and phenyltriphenylphosphonium bromide as a phosphonium salt. This method provides good yield and control over the reaction. Other methods involve the reduction of 3-keto-2-cyclohexenone with sodium borohydride or lithium aluminum hydride.

What industries use 3-Amino-2-cyclohexen-1-one (CAS: 5220-49-5)?

3-Amino-2-cyclohexen-1-one is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of aroma compounds and as a precursor in the polymer industry. Additionally, it is utilized in the development of certain sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling 3-Amino-2-cyclohexen-1-one (CAS: 5220-49-5)?

When handling 3-Amino-2-cyclohexen-1-one, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the area is well-ventilated and work in a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information.