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P45605

Sigma-Aldrich

3,3-Dimethyl-2-butanone

97%

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Synonym(s):
α,α,α-Trimethylacetone, tert-Butyl methyl ketone, Pinacolone
Linear Formula:
CH3COC(CH3)3
CAS Number:
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1209331
EC Number:
MDL number:
PubChem Substance ID:

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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1 of 4

This Item
287784929999107840
vibrant-m

P45605

3,3-Dimethyl-2-butanone

vibrant-m

287784

(1R,2R,3S,5R)-(−)-Pinanediol

vibrant-m

929999

Allochenodeoxycholic acid solution

vibrant-m

107840

2,2,2-Trifluoroacetophenone

assay

97%

assay

99%

assay

≥98% (CP)

assay

99%

refractive index

n20/D 1.396 (lit.)

refractive index

-

refractive index

-

refractive index

n20/D 1.458 (lit.)

density

0.801 g/mL at 25 °C (lit.)

density

-

density

-

density

1.24 g/mL at 25 °C (lit.)

bp

106 °C (lit.)

bp

101-102 °C/1 mmHg (lit.)

bp

-

bp

165-166 °C (lit.), 46-48 °C/14 mmHg (lit.)

Application

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

pictograms

FlameExclamation mark

signalword

Danger

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
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)
Direct conversion of arylamines to pinacol boronates: a metal-free borylation process.
Fanyang Mo et al.
Angewandte Chemie (International ed. in English), 49(10), 1846-1849 (2010-02-04)
Keliang Gao et al.
Applied microbiology and biotechnology, 71(6), 819-823 (2006-02-21)
Enantioselective biotransformation of DL-1,2-propanediol to D-2-hydroxypropanic acid was first reported by the authors. In the biooxidation process, there were some by-product formed and thus influenced the e.e. value and output of the acid. Restricting oxygen in the reaction system and

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