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Cyclopentylacetone, also known as 1-Cyclopentylpropan-2-one, is an organic compound that serves as a crucial reagent in the synthesis of various pharmaceutical compounds. It is characterized by its unique cyclopentyl group attached to a ketone functional group, which contributes to its chemical properties and reactivity.

1122-98-1

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1122-98-1 Usage

Uses

Used in Pharmaceutical Industry:
Cyclopentylacetone is used as a key intermediate in the synthesis of Cyclopentamine, a vasoconstrictor agent. Cyclopentamine functions as a releasing agent for neurotransmitters such as norepinephrine, epinephrine, and dopamine, playing a significant role in the regulation of blood flow and vascular tone.
In the synthesis process, Cyclopentylacetone undergoes chemical reactions to form Cyclopentamine, which is then utilized for its vasoconstrictor properties. This makes Cyclopentylacetone an essential component in the development of medications targeting cardiovascular conditions and other related therapies.

Check Digit Verification of cas no

The CAS Registry Mumber 1122-98-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,2 and 2 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1122-98:
(6*1)+(5*1)+(4*2)+(3*2)+(2*9)+(1*8)=51
51 % 10 = 1
So 1122-98-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H14O/c1-7(9)6-8-4-2-3-5-8/h8H,2-6H2,1H3

1122-98-1SDS

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-cyclopentylpropan-2-one

1.2 Other means of identification

Product number -
Other names 1-Cyclopentylacetone

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:1122-98-1 SDS

1122-98-1Relevant academic research and scientific papers

Metal complex, electroluminescent device containing metal complex and application of metal complex

-

, (2021/07/17)

The invention provides a metal complex, an electroluminescent device containing the metal complex and application of the electroluminescent device, the metal complex has an M(La)m(Lb)n structure, the metal complex provided by the invention can more effectively finely adjust the luminescence color and adjust the luminescence peak width, so that the half-peak width is narrowed, the luminescence color is more saturated, the device efficiency is improved, and the current efficiency and the external quantum efficiency are relatively high.

Preparation method of (cyclic)alkyl acetone

-

Paragraph 0015-0018; 0027-0030, (2020/01/08)

A purpose of the invention is to provide a preparation method of (cyclic)alkyl acetone. The preparation method specifically comprises: sequentially adding acetic acid, potassium acetate, manganese acetate, acetic anhydride and acetone into a reaction flask, heating to a reaction temperature, adding olefin and an oxidant, and carrying out a free radical addition reaction represented by the following formula 2 at a reaction temperature of 30-100 DEG C to obtain (cyclic) alkyl acetone represented by a formula 2. According to the present invention, the preparation method is simple and safe to operate, and low in production cost.

Highly efficient methyl ketone synthesis with photoactivated acetone and olefins assisted by Mg(II)-exchanged zeolite y

Tsukamoto, Daijiro,Shiraishi, Yasuhiro,Hirai, Takayuki

supporting information; experimental part, p. 1450 - 1457 (2010/05/19)

(Figure Presented) We previously found that photoirradiation of an acetone/water mixture containing olefins affords the corresponding methyl ketones highly efficiently and selectively via a water-assisted C-C coupling between the acetonyl radical and olefins (Org. Lett. 2008, 10, 3117-3120). The reaction proceeds at room temperature without any additives and has a potential to be a powerful method for methyl ketone synthesis. Here we report that an addition of Mg2+-exchanged zeolite Y (MgY) to the above photoreaction system accelerates the methyl ketone formation, while maintaining high selectivity. Ab initio molecular orbital calculation reveals that the accelerated methyl ketone formation is due to the electrostatic interaction between Mg2+ and excited-state acetone. This leads to a charge polarization of the carbonyl moiety of excited-state acetone and accelerates the hydrogen abstraction from ground-state acetone (acetonyl radical formation). This promotes efficient addition of the acetonyl radical to olefins, resulting in methyl ketone formation enhancement. Adsorption experiments reveal that accumulation of olefins inside the zeolite pore also affects efficient radical addition to olefins. The present process successfully produces various methyl ketones with very high yield, and the MgY recovered can be reused for further reaction without loss of activity.

A general study of [(η5-Cp′)2Ti(η 2-Me3SiC2SiMe3)]-catalyzed hydroamination of terminal alkynes: Regioselective formation of Markovnikov and anti-Markovnikov products and mechanistic explanation (Cp′=C (5)H(5), C(5)H(4)Et, C(5)Me(5))

Tillack, Annegret,Jiao, Haijun,Castro, Ivette Garcia,Hartung, Christian G.,Beller, Matthias

, p. 2409 - 2420 (2007/10/03)

A general study of the regioselective hydroamination of terminal alkynes in the presence of [(η5-Cp)2Ti(η2-Me 3SiC2SiMe3)] (1), [(η5-CpEt) 2Ti(η2-Me3SiC2SiMe3)] (CpEt= ethylcyclopentadienyl) (2), and [(η5-Cp*) 2Ti(η2-Me3SiC2SiMe3)] (Cp=pentamethylcyclopentadienyl) (3) is presented. While aliphatic amines give mainly the anti-Markovnikov products, anilines and aryl hydrazines yield the Markovnikov isomer as main products. Interestingly, using aliphatic amines such as n-butylamine and benzylamine the different catalysts lead to a significant change in the observed regioselectivity. Here, for the first time a highly selective switch from the Markovnikov to the anti-Markovnikov product is observed simply by changing the catalyst. Detailed theoretical calculations for the reaction of propyne with different substituted anilines and tert-butylamine in the presence of [(η5-C5H5)Ti(= NR)(NHR)] (R=4-C6H4X; X=H, F, Cl, CH3, 2,6-dimethylphenyl) reveal that the experimentally observed regioselectivity is determined by the relative stability of the corresponding π-complexes 10. While electrostatic stabilization favors the Markovnikov performance for aniline, the steric repulsive destabilization disfavors the Markovnikov performance for tert-butylamine.

Substituted beta-ketoamide ACAT inhibitors

-

, (2008/06/13)

Novel pharmaceutically useful compounds which lower blood cholesterol levels and are beta-ketoamides, oximes, amines, and hydroxyl derivatives thereof.

Metal-Halogen Exchange-Initiated Intramolecular Conjugate Addition Reactions of Unsaturated Esters

Cooke, Manning P.

, p. 1144 - 1146 (2007/10/02)

Intramolecular conjugate addition reactions of internal unstabilized nucleophilic centers formed through rapid lithium-halogen exchange reactions have been used to generate carbocycles from ω-iodo-α,β-unsaturated esters.

DECOMPOSITION DU PERCARBONATE DE O,O-t-BUTYLE ET O-ISOPROPENYLE EN SOLUTION DANS DES CYCLANES

Jaouhari, R.,Filliatre, C.,Maillard, B.,Villenave, J.J.

, p. 3137 - 3142 (2007/10/02)

Thermolysis of O,O-t-butyl and O-isopropenyl percarbonate in cyclohexane involves free-radical acetonylation of solvent.Free radicals derived from solvent add to the percarbonate double bond and after a double β-scission reaction, cyclohexylacetone carbon dioxide and t-butoxy radicals are formed.Abstracting H atoms from the solvent, t-butoxy radicals regenerate free radicals from solvent, and the reaction becomes a chain process.Extending the study to other cycloalkanes it has been shown that the process is a general synthesis method for cycloalkylacetones.On the other hand, competitive reactions of pairs of solvents have shown that the reactivity of the substrates depends on H atom lability and on more complex phenomena like transfers between hydrocarbons and C-centred free-radicals.

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