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Pinacolone

CAS No.:
75-97-8
Catalog Number:
AG0033HO
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG0033HO
Chemical Name:
Pinacolone
CAS Number:
75-97-8
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00008846
IUPAC Name:
3,3-dimethylbutan-2-one
InChI:
InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChI Key:
PJGSXYOJTGTZAV-UHFFFAOYSA-N
SMILES:
CC(=O)C(C)(C)C
EC Number:
200-920-4
UNII:
3U1AAG3528
NSC Number:
935
Properties
Complexity:
76.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
The role of acid catalysis in the Baeyer-Villiger reaction. A theoretical study. The Journal of organic chemistry 20120817
Hg(OTf)2-catalyzed vinylogous semi-pinacol rearrangement leading to 1,4-dihydroquinolines. Organic letters 20120302
(E)-1-(1,3-Benzodioxol-5-yl)-4,4-di-methyl-pent-1-en-3-one. Acta crystallographica. Section E, Structure reports online 20120301
Ionic crystals [M3O(OOCC6H5)6(H2O)3]4[α-SiW12O40] (M = Cr, Fe) as heterogeneous catalysts for pinacol rearrangement. Inorganic chemistry 20120116
Synthesis, spectroscopic, and in vitro photosensitizing efficacy of ketobacteriochlorins derived from ring-B and ring-D reduced chlorins via pinacol-pinacolone rearrangement. The Journal of organic chemistry 20111104
Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment. Applied and environmental microbiology 20101001
Direct conversion of arylamines to pinacol boronates: a metal-free borylation process. Angewandte Chemie (International ed. in English) 20100301
Effect of guest-host hydrogen bonding on the structures and properties of clathrate hydrates. Chemistry (Weinheim an der Bergstrasse, Germany) 20100118
Calyculins and related marine natural products as serine-threonine protein phosphatase PP1 and PP2A inhibitors and total syntheses of calyculin A, B, and C. Marine drugs 20100101
Solvent-washable polymer templated synthesis of mesoporous materials and solid-acid nanocatalysts in one-pot. Chemical communications (Cambridge, England) 20091107
1-(4-Chloro-phen-yl)-4,4-dimethyl-pent-1-en-3-one. Acta crystallographica. Section E, Structure reports online 20090301
The hydrogenation/transfer hydrogenation network in asymmetric reduction of ketones catalyzed by [RuCl2(binap)(pica)] complexes. Chemistry, an Asian journal 20081006
Radical nucleophilic substitution of 2-(4-halophenyl)-2-methyl-1-chloropropane with enolate ions of ketones. The Journal of organic chemistry 20070413
Coupling of enantioselective biooxidation of DL-1,2-propanediol and bioreduction of pinacolone via regeneration cycle of coenzyme. Applied microbiology and biotechnology 20060801
Coupling of an aldehyde or ketone to pyridine mediated by a tungsten imido complex. Inorganic chemistry 20051212
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions. The Journal of organic chemistry 20051111
A RuH(2)(CO)(PPh(3))(3)-catalyzed regioselective arylation of aromatic ketones with arylboronates via carbon-hydrogen bond cleavage. Journal of the American Chemical Society 20050427
Designing the 'search pathway' in the development of a new class of highly efficient stereoselective hydrosilylation catalysts. Chemistry (Weinheim an der Bergstrasse, Germany) 20050422
Enzymatic enantioselective transcyanation of silicon-containing aliphatic ketone with (S)-hydroxynitrile lyase from Manihot esculenta. Applied microbiology and biotechnology 20041101
Highly chemoselective oxidation of dithioester enethiolates to sulfenates: application to the synthesis of ketene dithioacetal s-oxides. The Journal of organic chemistry 20041001
Degradation of isooctane by Mycobacterium austroafricanum IFP 2173: growth and catabolic pathway. Journal of applied microbiology 20040101
Pinacol coupling reaction of beta-halo-alpha,beta-unsaturated aldehydes promoted by TiI4. Organic letters 20021114
Multiplicity control in the polygeminal diazeniumdiolation of active hydrogen bearing carbons: chemistry of a new type of trianionic molecular propeller. Journal of the American Chemical Society 20011107
Effect of meso-substituents on the osmium tetraoxide reaction and pinacol-pinacolone rearrangement of the corresponding vic-dihydroxyporphyrins. The Journal of organic chemistry 20010601
Palladium-catalyzed tandem reactions to form 1-vinyl-1h-isochromene derivatives. The Journal of organic chemistry 20010518
Properties