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682675

Sigma-Aldrich

2-Isobutyrylcyclohexanone

96%

Synonym(s):

2-(2-Methyl-1-oxopropyl)cyclohexanone

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About This Item

Empirical Formula (Hill Notation):
C10H16O2
CAS Number:
39207-65-3
Molecular Weight:
168.23
MDL number:
MFCD00466185
UNSPSC Code:
12352300
PubChem Substance ID:
329760504
NACRES:
NA.22

Assay

96%

form

liquid

reaction suitability

reagent type: ligand

refractive index

n20/D 1.5006

density

1.0076 g/mL at 25 °C

functional group

ketone

SMILES string

CC(C)C(=O)C1CCCCC1=O

InChI

1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3

InChI key

PFOYYSGBGILOQZ-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

219.9 °F - closed cup

Flash Point(C)

104.4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Yoshihide Usami et al.
Molecules (Basel, Switzerland), 25(20) (2020-10-16)
Alkylamino coupling reactions at the C4 positions of 4-halo-1H-1-tritylpyrazoles were investigated using palladium or copper catalysts. The Pd(dba)2 catalyzed C-N coupling reaction of aryl- or alkylamines, lacking a β-hydrogen atom, proceeded smoothly using tBuDavePhos as a ligand. As a substrate
Zhiyu Jia et al.
Angewandte Chemie (International ed. in English), 53(42), 11298-11301 (2014-09-10)
The α-arylation of carbonyl compounds is generally accomplished under basic conditions, both under metal catalysis and via aryl transfer from the diaryl λ(3)-iodanes. Here, we describe an alternative metal-free α-arylation using ArI(O2CCF3)2 as the source of a 2-iodoaryl group. The

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