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2,5-dimethylpiperidin-4-one is a colorless liquid chemical compound with the molecular formula C7H13NO. It belongs to the piperidine class of organic compounds and is characterized by its amine-like odor. This versatile intermediate is widely used in the synthesis of pharmaceuticals and agrochemicals.

4558-87-6

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4558-87-6 Usage

Uses

Used in Pharmaceutical Industry:
2,5-dimethylpiperidin-4-one is used as a key building block for the synthesis of various drugs. Its unique structure allows for the development of new medicinal compounds with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 2,5-dimethylpiperidin-4-one serves as an essential intermediate in the production of agricultural chemicals. It contributes to the creation of innovative products designed to enhance crop protection and improve overall agricultural yields.
Used as a Chemical Intermediate:
2,5-dimethylpiperidin-4-one is utilized as an important intermediate in the synthesis of a wide range of compounds across various industries. Its versatility and reactivity make it a valuable component in the development of new chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 4558-87-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,5,5 and 8 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4558-87:
(6*4)+(5*5)+(4*5)+(3*8)+(2*8)+(1*7)=116
116 % 10 = 6
So 4558-87-6 is a valid CAS Registry Number.

4558-87-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,5-dimethylpiperidin-4-one

1.2 Other means of identification

Product number -
Other names 2,5-dimethyl-piperidin-4-one

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:4558-87-6 SDS

4558-87-6Relevant articles and documents

Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics

Hillisch, Alexander,Gericke, Kersten M.,Allerheiligen, Swen,Roehrig, Susanne,Schaefer, Martina,Tersteegen, Adrian,Schulz, Simone,Lienau, Philip,Gnoth, Mark,Puetter, Vera,Hillig, Roman C.,Heitmeier, Stefan

supporting information, p. 12574 - 12594 (2020/11/13)

Despite extensive research on small molecule thrombin inhibitors for oral application in the past decades, only a single double prodrug with very modest oral bioavailability has reached human therapy as a marketed drug. We have undertaken major efforts to identify neutral, non-prodrug inhibitors. Using a holistic analysis of all available internal data, we were able to build computational models and apply these for the selection of a lead series with the highest possibility of achieving oral bioavailability. In our design, we relied on protein structure knowledge to address potency and identified a small window of favorable physicochemical properties to balance absorption and metabolic stability. Protein structure information on the pregnane X receptor helped in overcoming a persistent cytochrome P450 3A4 induction problem. The selected compound series was optimized to a highly potent, neutral, non-prodrug thrombin inhibitor by designing, synthesizing, and testing derivatives. The resulting optimized compound, BAY1217224, has reached first clinical trials, which have confirmed the desired pharmacokinetic properties.

ASYMMETRIC SYNTHESIS AND ABSOLUTE CONFIGURATION OF 1-α-PHENYLETHYL-2,5-DIMETHYL-4-PIPERIDONE ISOMERS

Grishina, G. V.,Potapov, V. M.,Abdulganeeva, S. A.,Gudasheva, T. A.,Karapetyan, A. A.,et al.

, p. 1327 - 1333 (2007/10/02)

Reaction of the methyl iodide of trans-1,2-5-trimethyl-4-piperidone with S-α-phenylethylamine proceeds asymmetrically and leads in 66percent optical yield to the formation of the cis- and trans-diastereomeric pair of 1-(α-phenylethyl)-2,5-dimethyl-4-piperidone, in which the new asymmetric centers possess the 2S,5S- and 2S,5R-configurations, respectively.According to x-ray structural analysis, the minor trans-1-(α-phenylethyl)-2,5-dimethyl-4-piperidone component possesses the 2R,5S-configuration.The occurrence of asymmetric synthesis accompanying transamination was confirmed via the preparation of enantiomers of trans-2,5- and trans-1,2,5-trimethyl-4-piperidones.

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