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P45605

3,3-Dimethyl-2-butanone

Name: 3,3-Dimethyl-2-butanone
Brand: ALDRICH

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:

75-97-8

Molecular Weight:

100.16

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24898551

EC Number:

200-920-4

Beilstein/REAXYS Number:

1209331

MDL number:

MFCD00008846

Assay:

97%

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Properties

Quality Level

100

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

Description

Application

3,3-Dimethyl-2-butanone is an aliphatic ketone can undergo asymmetric reduction to the corresponding alcohol with diisopinocampheylchloroborane with high enantiomeric excess.

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pictograms

GHS02,GHS07

signalword

Danger

hcodes

H225,H302

pcodes

P210 - P233 - P240 - P241 - P242 - P301 + P312

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

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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Hg(OTf)2-catalyzed vinylogous semi-pinacol rearrangement leading to 1,4-dihydroquinolines.

Kosuke Namba et al.

Organic letters, 14(5), 1222-1225 (2012-02-22)

An efficient method for the construction of dihydroquinoline derivatives possessing a quaternary carbon center is developed by an application of Hg(OTf)(2)-catalyzed vinylogous semi-pinacol-type rearrangement. The reaction was found to be specifically catalyzed by mercury salt and to proceed via a

Highly efficient asymmetric reduction of. alpha.-tertiary alkyl ketones with diisopinocampheylchloroborane.

Brown H C, et al.

The Journal of Organic Chemistry, 51(17), 3394-3396 (1986)

Effect of meso-substituents on the osmium tetraoxide reaction and pinacol-pinacolone rearrangement of the corresponding vic-dihydroxyporphyrins.

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

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Global Trade Item Number

SKU	GTIN
P45605-500ML	04061834374800
P45605-100ML	04061834374794