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2-PENTANONE-1,1,1,3,3-D5, also known as 2-pentanone-d5, is an isotopically labeled research compound with the CAS number 24313-49-3. It is a deuterated version of 2-pentanone, which means it contains five deuterium atoms (D5) instead of regular hydrogen atoms. 2-PENTANONE-1,1,1,3,3-D5 is commonly used in scientific research and analysis due to its unique isotopic properties.

24313-49-3

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24313-49-3 Usage

Uses

Used in Research and Analysis:
2-PENTANONE-1,1,1,3,3-D5 is used as an isotopically labeled compound for various research and analytical applications. The expression is: 2-PENTANONE-1,1,1,3,3-D5 is used as a research compound for [application reason].
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-PENTANONE-1,1,1,3,3-D5 is used as a labeled compound for studying the metabolism and pharmacokinetics of drugs. The expression is: Used in Pharmaceutical Industry, 2-PENTANONE-1,1,1,3,3-D5 is used as a labeled compound for [application reason].
Used in Chemical Synthesis:
2-PENTANONE-1,1,1,3,3-D5 is also used as a starting material or intermediate in the synthesis of various deuterated organic compounds. The expression is: Used in Chemical Synthesis, 2-PENTANONE-1,1,1,3,3-D5 is used as a starting material for [application reason].
Used in Environmental Studies:
In environmental studies, 2-PENTANONE-1,1,1,3,3-D5 can be used as a tracer compound to track the fate and transport of similar organic compounds in the environment. The expression is: Used in Environmental Studies, 2-PENTANONE-1,1,1,3,3-D5 is used as a tracer compound for [application reason].

Check Digit Verification of cas no

The CAS Registry Mumber 24313-49-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,4,3,1 and 3 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 24313-49:
(7*2)+(6*4)+(5*3)+(4*1)+(3*3)+(2*4)+(1*9)=83
83 % 10 = 3
So 24313-49-3 is a valid CAS Registry Number.

24313-49-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,1,1,3,3-pentadeuteriopentan-2-one

1.2 Other means of identification

Product number -
Other names 2-pentanone-d5

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:24313-49-3 SDS

24313-49-3Relevant academic research and scientific papers

Microwave-assisted deuterium exchange reactions for the preparation of reactive intermediates

Fodor-Csorba, Katalin,Galli, Giancarlo,Holly, Sándor,Gács-Baitz, Eszter

, p. 3789 - 3792 (2002)

Deuterium labelling of a number of ketones was achieved on a preparative scale by a microwave-assisted deuterium exchange reaction with D2O/CF3COOD. The reaction was rapid (15 min) and highly isotope-efficient (ca. 100%), even though deuterium incorporation can be decreased during work-up (85-90%). No exchange reaction was observed for aryl protons of aromatic ketones.

Aerobic oxidation of alkenes mediated by porphyrin rhodium(iii) complexes in water

Zhang, Jiadi,Li, Shan,Fu, Xuefeng,Wayland, Bradford B.

scheme or table, p. 3661 - 3663 (2009/08/15)

Selective oxidation of alkenes in water to ketones using molecular oxygen as the oxidant is mediated by rhodium porphyrin complexes through observed β-hydroxy alkyl complexes.

HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS

-

Page/Page column 62, (2008/12/07)

Disclosed herein are substituted phosphodiesterase type 5 enzyme modulators of Formula I, processes of preparation thereof, pharmaceutical compositions thereof, and methods of use thereof.

Thermal decomposition of acetyl propionyl peroxide in acetone-d6

Skakovskii,Stankevich,Tychinskaya,Shirokii,Choban,Murashko,Rykov

, p. 1719 - 1725 (2007/10/03)

The kinetics of thermolysis of acetyl propinyl peroxide in acetone-d 6 in the temperature range 323-373 K was studied using NMR spectroscopy and the effect of chemically induced nuclear polarization. The peroxide decomposes in acetone at rates comparable with the rates of thermolysis in alcohols, yielding numerous products. In the examined temperature range, the solvent molecules act as efficient donors of deuterium atoms, forming acetylmethyl-d5 radicals which recombine to a significant extent with the peroxide radicals. A scheme of the processes involved in decomposition of the peroxide was suggested. The parameters of the Arrhenius equation for the peroxide decomposition were determined. 2004 MAIK "Nauka/ Interperiodica".

CH-π interaction as an important driving force of host-guest complexation in apolar organic media. Binding of monools and acetylated compounds to resorcinol cyclic tetramer as studied by 1H NMR and circular dichroism spectroscopy

Kobayashi, Kenji,Asakawa, Yuji,Kikuchi, Yasuaki,Toi, Hiroo,Aoyama, Yasuhiro

, p. 2648 - 2653 (2007/10/02)

The CH-π interaction plays an important role in the complexation involving resorcinol cyclic tetramer 1 in chloroform. Thus, host 1 binds simple monools 4-10 via a cooperation of CH-π and hydrogen-bonding interactions, where the binding constants at 298 K (up to 13 M-1) increase with increasing chain lengths (from ethyl through propyl to butyl) as well as branching in the aliphatic moiety of the guests. In addition, the largest complexation-induced 1H NMR upfield shift for a bound guest occurs at the terminal methyl group, which must therefore be deeply incorporated in the aromatic cavity of the host. The complexes derived from chiral secondary alcohols 10-17 including terpenes and steroids exhibit induced circular dichroism as a result of guest-to-host chirality transfer which is mediated by the CH-π interaction. Borneol (14) having three methyl groups to allow a multipoint CH-π interaction forms a particularly stable complex (K = 54 M-1). The acetyl group in a guest is significantly complexation-promoting. This is primarily due to enhanced CH-π interaction involving the polarized C-H bonds of the acetyl group. The binding constants for selected guests are K = 35, 12, 4, and 1 M-1 for 3-oxo-1-butanol (simple alcohol having an acetyl group), bornyl acetate (monoacetate having a bulky and highly branched aliphatic moiety), 2,4-diacetoxypentane (simple diacetate), and cholestane (bulky hydrocarbon), respectively.

Characterizaton of Five + Ion Structures. Fragmentation of the 2-Pentanone Molecular Ion

Laderoute, Keith R.,Zwinselman, Jan J.,Harrison, Alex. G.

, p. 25 - 33 (2007/10/02)

The + ions + (1), + (2), + (3), O>+ (4), and O>+ (5) have been characterized by their collision-induced dissociation (CID) mass spectra and charge stripping mass spectra.The ions 1-3 were prepared by gas phase protonation of the relevant carbonyl compounds while 4 and 5 were prepared by dissociative electron impact ionization of the appropriate carbonyl compounds.Only 2 and 3 give similar spectra and are difficult to distinguish from each other; the remaining ions can be readily characterized by either their CID mass spectra or their charge stripping mass spectra.The 2-pentanone molecular ion fragments by loss of the C(1) methyl and the C(5) methyl in the ratio 60:40 for metastable ions: at higher internal energies loss of the C(1) methyl becomes more favoured.Metastable ion characteristics, CID mass spectra and charge stripping mass spectra all show that loss of the C(1) methyl leads to formation of the acyl ion 4, while loss of the C(5) methyl leads to formation of protonated vinyl methyl ketone (1).These results are in agreement with the previously propossed potential energy diagram for the +. system.

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