P45605
3,3-Dimethyl-2-butanone
97%
Synonym(s):
α,α,α-Trimethylacetone, tert-Butyl methyl ketone, Pinacolone
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About This Item
Linear Formula:
CH3COC(CH3)3
CAS Number:
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1209331
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
97%
refractive index
n20/D 1.396 (lit.)
bp
106 °C (lit.)
density
0.801 g/mL at 25 °C (lit.)
SMILES string
CC(=O)C(C)(C)C
InChI
1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChI key
PJGSXYOJTGTZAV-UHFFFAOYSA-N
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Related Categories
Application
3,3-Dimethyl-2-butanone is an aliphatic ketone can undergo asymmetric reduction to the corresponding alcohol with diisopinocampheylchloroborane with high enantiomeric excess.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk_germany
WGK 2
flash_point_f
41.0 °F - closed cup
flash_point_c
5 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Y Chen et al.
The Journal of organic chemistry, 66(11), 3930-3939 (2001-05-26)
To investigate the effects of electron-donating and electron-withdrawing substituents upon the reaction of porphyrins with osmium tetraoxide, and the pinacol-pinacolone rearrangement of the resulting diols, a series of meso-substituted porphyrins were prepared by total synthesis. Porphyrins with electron-donating substitutents at
Highly efficient asymmetric reduction of. alpha.-tertiary alkyl ketones with diisopinocampheylchloroborane.
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