ChemicalBook--->CAS DataBase List--->4541-32-6

4541-32-6

4541-32-6 Structure

4541-32-6 Structure
IdentificationBack Directory
[Name]

2,2-DIMETHYLCYCLOPENTANONE
[CAS]

4541-32-6
[Synonyms]

2,2-DIMETHYLCYCLOPENTANONE
α,α-DiMethylcyclopentanone
CYCLOPENTANONE, 2,2-DIMETHYL-
2,2-DIMETHYL-1-CYCLOPENTANONE
2,2-dimethylcyclopentan-1-one
2,2-Dimethylcyclopentane-1-one
2,2-Dimethylcyclopentanone,97%
2,2-DiMethylcyclopentanone 96%
2,2-Dimethylcyclopentanone ,98%
2,2-DIMETHYLCYCLOPENTANONE, 96+%
[Molecular Formula]

C7H12O
[MDL Number]

MFCD00049164
[MOL File]

4541-32-6.mol
[Molecular Weight]

112.17
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to yellow liquid
[Boiling point ]

143-145 °C(lit.)
[density ]

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

n20/D 1.433(lit.)
[Fp ]

91 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[color ]

White to light yellow
[InChI]

InChI=1S/C7H12O/c1-7(2)5-3-4-6(7)8/h3-5H2,1-2H3
[InChIKey]

FTGZMZBYOHMEPS-UHFFFAOYSA-N
[SMILES]

C1(=O)CCCC1(C)C
[CAS DataBase Reference]

4541-32-6
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to yellow liquid
[Uses]

2,2-Dimethylcyclopentanone enolate may be used as starting reagent in the enantioselective synthesis of chiral phosphines belonging to the P-aryl-2-phosphabicyclo[3.3.0]octane family (PBO). It may be used in the synthesis of:
  • 2,6,6-trimethyl-2-azaspiro[4.4]nonane-1,3-dione, a spirosuccinimide moiety of asperparaline A
  • novel spiropentanopyrrolizidine oxime alkaloids, namely 2′,3′,5′,6′,7′,7a′-hexahydro-2,2-dimethylspirocyclopentane-1
  • δ,δ-dimethyl-δ-valerolactone, via Baeyer-Villiger oxidation
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 53, p. 1894, 1988 DOI: 10.1021/jo00244a011
[General Description]

2,2-Dimethylcyclopentanone is a ketone. Synthesis of various C-2 substituted vitamin D derivatives with a 2,2-dimethylcyclopentanone unit in side chains has been reported. Regioselective synthesis of 2,2-dimethylcyclopentanone, via its enolate precursor regioselectively obtained using the 2-pyrrolidone magnesium salt, has been reported.
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H225
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Risk Statements ]

10
[Safety Statements ]

16-29-33
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29142900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Iodomethane-->Adipic acid-->Cyclopentanone-->Methyl acetoacetate-->Isoprene
[Preparation Products]

Cyclopentanamine, 2,2-dimethyl-
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-DIMETHYLCYCLOPENTANONE(4541-32-6)1HNMR
2,2-DIMETHYLCYCLOPENTANONE(4541-32-6)Raman
2,2-DIMETHYLCYCLOPENTANONE(4541-32-6)IR
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