Methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate

Base Information

• Chemical Name: Methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate
• CAS No.: 942142-51-0
• Molecular Formula: C26H41ClN4O5
• Molecular Weight: 525.088
• UNII: 254XY8NV84
• ChEMBL ID: CHEMBL1276678
• DSSTox Substance ID: DTXSID70583133
• Metabolomics Workbench ID: 153407
• Mol file: 942142-51-0.mol

Synonyms:methyl (2-((3-chlorophenyl)(1-((2-(methylamino)-3-(tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate;VTP-000027999;VTP-27,999;VTP-27999

Chemical Property of Methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate

Chemical Property:

• Vapor Pressure: 1.29E-19mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 703.1 °C at 760 mmHg
• Flash Point: 379 °C
• PSA: 101.16000
• Density: 1.178 g/cm³
• LogP: 4.69060
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 524.2765481
• Heavy Atom Count: 36
• Complexity: 672

Purity/Quality:

97% ^*data from raw suppliers

VTP27999 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)OC
• Isomeric SMILES: CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](C3=CC(=CC=C3)Cl)OCCNC(=O)OC
• Recent ClinicalTrials: Direct Renin Inhibition and the Kidney
• Uses: VTP 27999, is a new renin inhibitor, that alters renin immunoreactivity and does not unfold prorenin.

Technology Process of Methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate

There total 2 articles about Methyl (2-((R)-(3-chlorophenyl)((R)-1-(((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propyl)carbamoyl)piperidin-3-yl)methoxy)ethyl)carbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate → VTP-27999 (942142-51-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water;

Reference yield: 91.0%

methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate (1013937-63-7) → VTP-27999 (942142-51-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; Product distribution / selectivity;

Reference yield: 92.0%

Di-p-toluoyl-L-tartaric acid (32634-66-5) + VTP-27999 (942142-51-0) → methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate di-p-toluoyl-L-tartrate

Guidance literature:

In ethyl acetate; at 50 ℃; for 0.9h; Product distribution / selectivity;

upstream raw materials:

methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate

Downstream raw materials:

methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate oxalate

methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate N-acetyl-L-phenylalanine