ChemicalBook--->CAS DataBase List--->1121-66-0

1121-66-0

1121-66-0 Structure

1121-66-0 Structure
IdentificationBack Directory
[Name]

2-Cyclohepten-1-one
[CAS]

1121-66-0
[Synonyms]

Tropilene
NSC 155333
2-Cycloheptenone
Cyclohept-2-enone
2-CYCLOHEPTEN-1-ONE
cyclohept-2-en-1-one
(Z)-cyclohept-2-enone
2-CYCLOHEPTEN-1-ONE, TECH., 80%
2-Cyclohepten-1-one 80%, technical grade
[EINECS(EC#)]

214-334-1
[Molecular Formula]

C7H10O
[MDL Number]

MFCD00004157
[MOL File]

1121-66-0.mol
[Molecular Weight]

110.15
Chemical PropertiesBack Directory
[Boiling point ]

183°C(lit.)
[density ]

0.988 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.494(lit.)
[Fp ]

155 °F
[storage temp. ]

2-8°C
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[λmax]

227nm(EtOH)(lit.)
[InChI]

InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2
[InChIKey]

WZCRDVTWUYLPTR-UHFFFAOYSA-N
[SMILES]

C1(=O)CCCCC=C1
[NIST Chemistry Reference]

2-Cyclohepten-1-one(1121-66-0)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

1
[HS Code ]

2914290090
Hazard InformationBack Directory
[Uses]

A cycloheptenone derivative, a key intermediate for the synthesis of perhydroazulene terpenoids.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 41, p. 2073, 1976 DOI: 10.1021/jo00873a055
[General Description]

2-Cyclohepten-1-one is an α,β-enone and its regioselective reaction with allyl indium reagent in the presence of TMSCl has been reported. It reacts with Bu2Zn in the presence of catalytic amounts of Cu(OTf)2 and CH2-bridged azolium salts to give (S)-3-butylcycloheptanone.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Cyclohepten-1-one(1121-66-0)1HNMR
2-Cyclohepten-1-one(1121-66-0)IR
2-Cyclohepten-1-one(1121-66-0)FT-IR
2-Cyclohepten-1-one(1121-66-0)Raman
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