90950-34-8

Basic information

• Product Name: ethyl 2-methylpiperidine-3-carboxylate
• Synonyms: ethyl 2-methylpiperidine-3-carboxylate
• CAS NO: 90950-34-8
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• Mol File: 90950-34-8.mol

Chemical Properties

• CAS DataBase Reference: ethyl 2-methylpiperidine-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-methylpiperidine-3-carboxylate(90950-34-8)
• EPA Substance Registry System: ethyl 2-methylpiperidine-3-carboxylate(90950-34-8)

Safety Data

• Hazardous Substances Data: 90950-34-8(Hazardous Substances Data)

Upstream product

• 10444-33-4 ethyl 2-(2-cyanoethyl)-3-oxobutanoate 
• 141-97-9 ethyl acetoacetate 
• 1721-26-2 ethyl 2-methyl nicotinate 
• 141-52-6 sodium ethanolate 
• 183786-23-4 methyl (2R*,3R*)-2-methylpiperidine-3-carboxylate 
• 3222-56-8 2-methylnicotinic acid 
• 65719-09-7 methyl 2-methylnicotinate 

Downstream Products

• 110287-65-5 trans acide methyl-2 nipecotique 
• 110287-65-5 cis acide methyl-2 nipecotique 
• 1009376-46-8 C₂₀H₂₆ClNO₃ 
• 828300-51-2 trans-(±)-1-(tert-butoxycarbonyl)-2-methylpiperidine-3-carboxylic acid 
• 828300-51-2 (2R*,3R*)-1-[(tert-butoxy)carbonyl]-2-methylpiperidine-3-carboxylic acid 
• 828300-54-5 trans-N-tert-butoxycarbonyl-3-cyano-2-methylpiperidine 
• 828300-54-5 tert-butyl (2R*,3R*)-3-cyano-2-methylpiperidine-1-carboxylate 

Relevant articles and documents

Design and Synthesis of 56 Shape-Diverse 3D Fragments

Fragment-based drug discovery is now widely adopted for lead generation in the pharmaceutical industry. However, fragment screening collections are often predominantly populated with flat, 2D molecules. Herein, we describe a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments that occupy under-represented areas of fragment space (as demonstrated by a principal moments of inertia (PMI) analysis). A key, and unique, underpinning design feature of this fragment collection is that assessment of fragment shape and conformational diversity (by considering conformations up to 1.5 kcal mol?1 above the energy of the global minimum energy conformer) is carried out prior to synthesis and is also used to select targets for synthesis. The 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Finally, by comparing our 3D fragments with six commercial libraries, it is clear that our collection has high three-dimensionality and shape diversity.

MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS

The invention provides a class of inhibitors, packaged pharmaceuticals comprising such inhibitors, and uses of the inhibitors in treating, or the manufacturing medicaments for treating central nervous system disorders, including depression, anxiety, sleep

DOPAMINE TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF MOVEMENT DISORDERS AND OTHER CNS INDICATIONS

The invention provides a class of dopamine transporter inhibitors of formula (I) (DAT inhibitors) , packaged pharmaceuticals comprising such inhibitors, and their uses in treating, or the manufacturing medicaments for treating disease conditions, inlcudin

Stereochemical substituent effects: Investigation of the cyano, amide and carboxylate group

Three pairs of diastereomeric piperidines, cis- and trans-2- methylpiperidine-3-carboxylate (6a and 6b), cis- and trans-2-methylpiperidine-3- carboxylamide (9a and 9b) and cis- and trans-2-methyl-3-cyanopiperidine (11a and 11b), were synthesised for the purpose of investigating the effect of the axial versus equatorial carboxylate, carboxamide and cyano group on piperidine base strength. The pKa values of the six compounds were determined to be 11.0 (6a), 10.4 (6b), 9.5 (9a), 9.3 (9b), 7.8 (11a) and 8.0 (11b). This shows that the strong electron-withdrawing effect of the cyano group and the effect of the amide group are relatively independent of spacial orientation. The carboxylate, on the other hand is considerably less electron-withdrawing when axial. Graphical Abstract.