942142-79-2

Basic information

• Product Name: 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(Methoxycarbonyl)aMino]ethoxy]Methyl]-, 1,1-diMethylethyl ester, (3R)-
• Synonyms: 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(Methoxycarbonyl)aMino]ethoxy]Methyl]-, 1,1-diMethylethyl ester, (3R)-;(R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-((methoxycarbonyl)amino)ethoxy)methyl)piperidine-1-carboxylate
• CAS NO: 942142-79-2
• Molecular Formula: C₂₁H₃₁ClN₂O₅
• Molecular Weight: 426.93424
• Mol File: 942142-79-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 526°C at 760 mmHg
• Flash Point: 271.9°C
• Appearance: /
• Density: 1.184g/cm³
• Vapor Pressure: 3.74E-11mmHg at 25°C
• Refractive Index: 1.529
• CAS DataBase Reference: 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(Methoxycarbonyl)aMino]ethoxy]Methyl]-, 1,1-diMethylethyl ester, (3R)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(Methoxycarbonyl)aMino]ethoxy]Methyl]-, 1,1-diMethylethyl ester, (3R)-(942142-79-2)
• EPA Substance Registry System: 1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(Methoxycarbonyl)aMino]ethoxy]Methyl]-, 1,1-diMethylethyl ester, (3R)-(942142-79-2)

Safety Data

• Hazardous Substances Data: 942142-79-2(Hazardous Substances Data)

Usage

Molecular structure

1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(Methoxycarbonyl)amino]ethoxy]methyl]-, 1,1-dimethylethyl ester, (3R)is a complex organic compound that consists of a piperidine ring, a chlorophenyl group, and a carbamate functional group.

Functional groups

The compound contains a piperidine ring, which is a nitrogen-containing five-membered ring, a chlorophenyl group, which is a phenyl ring with a chlorine atom attached, and a carbamate functional group, which is an amide derivative of an alcohol.

Stereochemistry

The compound has a specific (3R) stereochemistry, which indicates the spatial arrangement of the atoms in the molecule. This is important for its biological activity and selectivity in chemical reactions.

Esterification

The compound is a 1,1-dimethylethyl ester of 1-piperidinecarboxylic acid, which means that the carboxylic acid group is esterified with a dimethylethyl group, providing additional stability and reactivity to the molecule.

Applications

1-Piperidinecarboxylic acid, 3-[(R)-(3-chlorophenyl)[2-[(methoxycarbonyl)amino]ethoxy]methyl]-, 1,1-diMethylethyl ester, (3R)is used in the synthesis of pharmaceuticals and other organic compounds. Its specific structure and stereochemistry make it valuable for medicinal and chemical research, as it can be used as a building block or intermediate in the development of new drugs and other chemical products.

Reactivity

The compound's reactivity is influenced by its functional groups and stereochemistry. The carbamate group can undergo nucleophilic substitution reactions, while the chlorophenyl group can participate in electrophilic aromatic substitution reactions. The piperidine ring can also undergo various reactions, such as nucleophilic aromatic substitution or ring-opening reactions, depending on the reaction conditions and reagents used.

Stability

The compound's stability is influenced by its molecular structure and functional groups. The esterification of the carboxylic acid group with the dimethylethyl group increases the compound's stability, making it more resistant to hydrolysis and other reactions that could lead to degradation.

Solubility

The compound's solubility depends on its molecular structure and functional groups. The presence of the chlorophenyl group and the carbamate group can affect the compound's solubility in different solvents, such as polar or non-polar solvents. The compound may have varying solubility in water, organic solvents, or a combination of both, depending on the specific solvent system used.

InChI:InChI=1/C21H31ClN2O5/c1-21(2,3)29-20(26)24-11-6-8-16(14-24)18(15-7-5-9-17(22)13-15)28-12-10-23-19(25)27-4/h5,7,9,13,16,18H,6,8,10-12,14H2,1-4H3,(H,23,25)/t16-,18+/m1/s1

Upstream product

• 163438-09-3 (R)-1-Boc-nipecotic acid 
• 942145-05-3 (R)-tert-butyl 3-((R)-(2-azidoethoxy)(3-chlorophenyl)methyl)piperidine-1-carboxylate 
• 942145-04-2 (R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-(methylsulfonyloxy)ethoxy)methyl)piperidine-1-carboxylate 
• 942145-03-1 (R)-tert-butyl 3-((R)-(3-chlorophenyl)(2-hydroxyethoxy)methyl)piperidine-1-carboxylate 
• 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 
• 942142-78-1 (R)-tert-butyl 3-((R)-(2-aminoethoxy)(3-chlorophenyl)methyl)piperidine-1-carboxylate 
• 79-22-1 methyl chloroformate 

Downstream Products

• 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 
• 942143-17-1 (R)-tert-butyl 3-((R)-(phenyl)(2-(methoxycarbonylamino)ethoxy)methyl)piperidine-1-carboxylate 
• 942142-81-6 methyl 2-((R)-(3-chlorophenyl)((R)-piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate 

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