87120-81-8

Basic information

• Product Name: 4-(2-oxo-2,3-dihydro-1H-benziMidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
• Synonyms: 4-(2-oxo-2,3-dihydro-1H-benziMidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester;1-(1-Boc-4-piperidinyl)-2-oxo-benziMidazoline;TERT-BUTYL 4-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE;1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-, 1,1-dimethylethyl ester;TERT-BUTYL 4-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE(WXG03319)
• CAS NO: 87120-81-8
• Molecular Formula: C₁₇H₂₃N₃O₃
• Molecular Weight: 317.38282
• Mol File: 87120-81-8.mol
• Article Data: 28

Chemical Properties

• Melting Point: 156-159 °C
• Appearance: /
• Density: 1.219 g/cm³
• PKA: 12.03±0.30(Predicted)
• CAS DataBase Reference: 4-(2-oxo-2,3-dihydro-1H-benziMidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-oxo-2,3-dihydro-1H-benziMidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester(87120-81-8)
• EPA Substance Registry System: 4-(2-oxo-2,3-dihydro-1H-benziMidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester(87120-81-8)

Safety Data

• Hazardous Substances Data: 87120-81-8(Hazardous Substances Data)

Usage

General Description

The chemical 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester, also known as tert-butyl 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxylate, is a compound with potential pharmaceutical applications. It is a tert-butyl ester derivative of a piperidine carboxylic acid containing a benzimidazole moiety. The benzimidazole structure is a common pharmacophore in many bioactive compounds, and the presence of a piperidine and tert-butyl ester group in this compound may confer specific biological activity. This chemical may have potential use in the development of new drugs for conditions such as cancer, neurodegenerative diseases, or infectious diseases. Its precise pharmacological and toxicological properties would need to be further investigated.

Upstream product

• 41840-28-2 S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine 
• 20662-53-7 4-(2-keto-1-benzimidazolinyl)piperidine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 87120-72-7 1-(tert-butoxycarbonyl)-4-aminopiperidine 
• 959700-72-2 1,3-dihydrospiro[2H-benzimidazole-2,4'-piperidine]-1'-carboxylic acid tert-butyl ester 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 497-19-8 sodium carbonate 
• 79099-00-6 tert‐butyl 4‐((2‐aminophenyl)amino)piperidine‐1‐carboxylate 
• 1493-27-2 ortho-nitrofluorobenzene 
• 87120-73-8 tert‐butyl 4‐((2‐nitrophenyl)amino)piperidine‐1‐carboxylate 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 95-54-5 1,2-diamino-benzene 
• 530-62-1 1,1'-carbonyldiimidazole 
• 173843-48-6 4-(3-Methyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylicacid tert-butyl ester 

Downstream Products

• 20662-53-7 4-(2-keto-1-benzimidazolinyl)piperidine 
• 53786-10-0 1,3-dihydro-1-methyl-3-(4-piperidinyl)-2H-benzimidazol-2-one 
• 928632-92-2 4-{3-[2-(benzyl-methyl-amino)-ethyl]-2-oxo-2,3-dihydro-benzimidazol-1-yl}-piperidine-1-carboxylic acid tert-butyl ester 
• 928632-94-4 4-(3-methanesulfinylmethyl-2-oxo-2,3-dihydro-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester 
• 928633-00-5 1-[2-(benzyl-methyl-amino)-ethyl]-3-piperidin-4-yl-1,3-dihydro-benzimidazol-2-one 
• 928633-02-7 1-methansulfinylmethyl-3-piperidin-4-yl-1,3-dihydro-benzimidazol-2-one 
• 928632-56-8 C₃₆H₄₈N₄O₃ 

Relevant articles and documents

Expeditious process improvement for the synthesis of RWJ-333966

We improved chemical processes for synthesizing RWJ-333966 1 and obtained this compound over five steps in 40% overall yield.

[11C]Carbonyl Difluoride—a New and Highly Efficient [11C]Carbonyl Group Transfer Agent

Herein, the synthesis and use of [11C]carbonyl difluoride for labeling heterocycles with [11C]carbonyl groups in high molar activity is described. A very mild single-pass gas-phase conversion of [11C]carbon monoxide into [

Optimization of a Series of Mu Opioid Receptor (MOR) Agonists with High G Protein Signaling Bias

While mu opioid receptor (MOR) agonists are especially effective as broad-spectrum pain relievers, it has been exceptionally difficult to achieve a clear separation of analgesia from many problematic side effects. Recently, many groups have sought MOR agonists that induce minimal βarrestin-mediated signaling because MOR agonist-treated βarrestin2 knockout mice were found to display enhanced antinociceptive effects with significantly less respiratory depression and tachyphylaxis. Substantial data now exists to support the premise that G protein signaling biased MOR agonists can be effective analgesic agents. We recently showed that, within a chemical series, the degree of bias correlates linearly with the magnitude of the respiratory safety index. Herein we describe the synthesis and optimization of piperidine benzimidazolone MOR agonists that together display a wide range of bias (G/βarr2). We identify structural features affecting potency and maximizing bias and show that many compounds have desirable properties, such as long half-lives and high brain penetration.