1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea

Base Information

• Chemical Name: 1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea
• CAS No.: 913548-29-5
• Molecular Formula: C₁₈H₂₉N₃O₂
• Molecular Weight: 319.447
• UNII: 4HA03Q8EZ9
• ChEMBL ID: CHEMBL436774
• Metabolomics Workbench ID: 149744
• Nikkaji Number: J3.137.087F
• Pharos Ligand ID: SY3G7DV3SMBY
• Wikidata: Q27259593

Synonyms:1-(1-acetyl-piperidine-4-yl)-3-adamantan-1-yl-urea;AR 9281;AR-9281;AR9281

Chemical Property of 1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea

Chemical Property:

• Boiling Point: 554.1±39.0 °C(Predicted)
• Density: 1.19±0.1 g/cm3(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 319.22597718
• Heavy Atom Count: 23
• Complexity: 455

Purity/Quality:

98%min ^*data from raw suppliers

AR-9281 98.12% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3
• Recent ClinicalTrials: Evaluation of Soluble Epoxide Hydrolase (s-EH) Inhibitor in Patients With Mild to Moderate Hypertension and Impaired Glucose Tolerance

Technology Process of 1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea

There total 19 articles about 1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea 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: 75.0%

N-(piperidin-4-yl)-N'-(adamant-1-yl)urea hydrochloride + acetic acid (64-19-7,77671-22-8) → 1-(1-acetypiperidin-4-yl)-3-(adamantan-1-yl)urea (913548-29-5)

Guidance literature:

With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In dichloromethane; at 0 - 20 ℃; for 20h;

DOI:10.1016/j.bmcl.2006.07.009

Reference yield: 72.0%

N-acetyl-piperid-4-yl carboxamide (530120-27-5) + 1-adamantanamine → 1-(1-acetylpyridin-4-yl)-3-(adamant-1-yl) urea (913548-29-5)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In acetonitrile; at 75 - 80 ℃;

Reference yield: 72.0%

N-acetyl-piperid-4-yl carboxamide (530120-27-5) + 1-Adamantanamine (768-94-5) → 1-(1-acetypiperidin-4-yl)-3-(adamantan-1-yl)urea (913548-29-5)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In acetonitrile; at 75 - 80 ℃; for 1 - 6h; Product distribution / selectivity;

upstream raw materials:

acetic acid

N-phenylmethylidenepiperidinyl-4-amine

4-(benzylidene-amino)-piperidine-1-carboxylic acid tert-butyl ester

4-aminopiperidine

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