942145-04-2

Basic information

• Product Name: 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
• Synonyms: 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester;(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-(Methylsulfonyloxy)ethoxy)Methyl)piperidine-1-carboxylate
• CAS NO: 942145-04-2
• Molecular Formula: C₂₀H₃₀ClNO₆S
• Molecular Weight: 448
• Mol File: 942145-04-2.mol

Chemical Properties

• Boiling Point: 556.8±35.0 °C(Predicted)
• Appearance: /
• Density: 1.247±0.06 g/cm3(Predicted)
• PKA: -1.90±0.40(Predicted)
• CAS DataBase Reference: 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester(942145-04-2)
• EPA Substance Registry System: 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester(942145-04-2)

Safety Data

• Hazardous Substances Data: 942145-04-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Development:
3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester is used as a precursor in the synthesis of new pharmaceuticals for its potential biological activity and unique structural features. 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester's structural elements may be harnessed to target specific biological pathways or receptors, contributing to the development of innovative therapeutic agents.
Used in Chemical Research:
In the field of chemical research, 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester serves as a valuable research reagent. It can be employed to study the synthesis of complex organic molecules, explore the reactivity of different functional groups, and investigate the effects of structural modifications on the compound's properties and potential applications.
Used in Organic Chemistry:
3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester is utilized in organic chemistry to understand the behavior of ester groups and their influence on the molecule's stability and reactivity. The tert-butyl ester group can be a subject of study for its role in protecting carboxylic acid groups during synthetic transformations or for its impact on the molecule's lipophilicity, which is crucial in drug design.
Used in Biochemistry:
In biochemistry, 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester may be used to investigate its interactions with biological systems, such as enzymes or receptors. Understanding these interactions can provide insights into the compound's potential as a modulator of biological processes, which is essential for drug discovery and development.

Upstream product

• 163438-09-3 (R)-1-Boc-nipecotic acid 
• 942142-76-9 (R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-ethoxy-2-oxoethoxy)methyl)piperidine-1-carboxylate 
• 884512-09-8 (R)-tert-butyl 3-(3-chlorobenzoyl)piperidine-1-carboxylate 
• 884510-86-5 (R)-tert-butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate 
• 942142-74-7 (R)-tert-butyl 3-((R)-(3-chlorophenyl)(hydroxy)methyl)piperidine-1-carboxylate 
• 942145-03-1 (R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-hydroxyethoxy)methyl)piperidine-1-carboxylate 
• 124-63-0 methanesulfonyl chloride 

Downstream Products

• 942145-05-3 (R)-tert-butyl 3-((R)-(2-azidoethoxy)(3-chlorophenyl)methyl)piperidine-1-carboxylate 
• 942142-78-1 (R)-tert-butyl 3-((R)-(2-aminoethoxy)(3-chlorophenyl)methyl)piperidine-1-carboxylate 
• 942142-79-2 (R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-(methoxycarbonylamino)ethoxy)methyl)piperidine-1-carboxylate 
• 942145-39-3 methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate 
• 1013631-24-7 methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-1-(methylamino)-3-((S)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate trifluoroacetate 
• 1013937-63-7 methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate 
• 942142-81-6 methyl 2-((R)-(3-chlorophenyl)((R)-piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate 

Relevant articles and documents

Discovery of VTP-27999, an alkyl amine renin inhibitor with potential for clinical utility

Structure guided optimization of a series of nonpeptidic alkyl amine renin inhibitors allowed the rational incorporation of additional polar functionality. Replacement of the cyclohexylmethyl group occupying the S1 pocket with a (R)-(tetrahydropyran-3-yl)

Optimization of orally bioavailable alkyl amine renin inhibitors

Structure-guided drug design led to new alkylamine renin inhibitors with improved in vitro and in vivo potency. Lead compound 21a, has an IC50 of 0.83 nM for the inhibition of human renin in plasma (PRA). Oral administration of 21a at 10 mg/kg