861657-91-2

Basic information

• Product Name: Methyl 1-Boc-5-oxopyrrolidine-2-carboxylate
• Synonyms: Methyl 1-Boc-5-oxopyrrolidine-2-carboxylate
• CAS NO: 861657-91-2
• Molecular Formula: C₁₁H₁₇NO₅
• Molecular Weight: 243.25638
• Mol File: 861657-91-2.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 361.6±35.0 °C(Predicted)
• Appearance: /
• Density: 1.209±0.06 g/cm3(Predicted)
• PKA: -4.28±0.40(Predicted)
• CAS DataBase Reference: Methyl 1-Boc-5-oxopyrrolidine-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 1-Boc-5-oxopyrrolidine-2-carboxylate(861657-91-2)
• EPA Substance Registry System: Methyl 1-Boc-5-oxopyrrolidine-2-carboxylate(861657-91-2)

Safety Data

• Hazardous Substances Data: 861657-91-2(Hazardous Substances Data)

Usage

General Description

Methyl 1-Boc-5-oxopyrrolidine-2-carboxylate is a chemical compound with the molecular formula C10H15NO4. It is a derivative of pyrrolidine, a heterocyclic organic compound found in many pharmaceuticals and natural products. The "Boc" in the name refers to the tert-butoxycarbonyl protecting group, which is commonly used in organic synthesis to protect amines and facilitate various reactions. Methyl 1-Boc-5-oxopyrrolidine-2-carboxylate is used as a building block in the synthesis of pharmaceuticals and other organic compounds. It is important to handle and store this chemical with care, following appropriate safety protocols due to its potential hazards and toxicity.

Upstream product

• 67-56-1 methanol 
• 24424-99-5 di-tert-butyl dicarbonate 
• 149-87-1 Pyroglutamic acid 
• 4931-66-2 methyl 5-oxopyrrolidine-2-carboxylate 
• 4931-66-2 methyl (S)-pyroglutamate 
• 145681-01-2 (+/-)-N-tert-butoxycarbonylproline methyl ester 

Downstream Products

• 195311-23-0 methyl 5-methylpyrrolidine-2-carboxylate 
• 195311-23-0 methyl (2R*,5R*)-5-methylpyrrolidine-2-carboxylate 
• 158706-46-8 (2S/R,5R/S)-1-(tert-butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid 
• 1822538-74-8 1-(tert-butyl) 2-methyl 5-hydroxypiperidine-1,2-dicarboxylate 
• 896731-57-0 C₁₈H₂₂N₂O₅ 
• 170491-63-1 N-Boc-prolinol 
• 861658-15-3 1,5-dimethyl 2-[(t-butoxycarbonyl)amino]pentanedioate 

Relevant articles and documents

PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION

Peptidomimetic N5-methyl-N2-(nonanoyl-L-leucyl)-L-glutaminate derivatives, triazaspiro[4.14]nonadecane derivatives and similar compounds for use in methods of inhibiting the replication of noroviruses and coronaviruses in a biological sample or patient, for use in reducing the amount of noroviruses or coronaviruses in a biological sample or patient, and for use in treating norovirus and coronavirus in a patient, comprising administering to said biological sample or patient a safe and effective amount of a compound represented by formulae I or II, or a pharmaceutically acceptable salt thereof. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. page 99 to page 271; examples 1 to 3; compounds A1 to A104 and Bl to B66; tables A to E).

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.

Preparation method for tert-butyl dioxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid

The invention relates to a preparation method for tert-butyl dioxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid, and mainly solves the technical problems that in an existing synthetic process, the yield is low, the reaction is not easy to control, the experimental operation is inconvenient and the like. By taking t-butyloxycarboryl methyl pyroglutamate as an initial raw material, the tert-butyl dioxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid is prepared by five-step reactions. The tert-butyl dioxy-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid obtained by the method provided by the invention is a useful intermediate or an intermediate product for synthesis of multiple drugs.