1-(5-Chlorobenzo[D]oxazol-2-YL)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(5-Chlorobenzo[D]oxazol-2-YL)piperidine-4-carboxylic acid
• CAS No.: 936074-51-0
• Molecular Formula: C13H13ClN2O3
• Molecular Weight: 280.711
• DSSTox Substance ID: DTXSID60587988
• Wikidata: Q72517346
• Mol file: 936074-51-0.mol

Synonyms:936074-51-0;1-(5-CHLOROBENZO[D]OXAZOL-2-YL)PIPERIDINE-4-CARBOXYLIC ACID;1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid;1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid;4-Piperidinecarboxylic acid, 1-(5-chloro-2-benzoxazolyl)-;DTXSID60587988;AMY13600;STK693826;AKOS005605339;MCULE-4532993631;DB-031974;A844646;1-(5-Chloro-1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid;1-(5-CHLOROBENZO[D]OXAZOL-2-YL)PIPERIDINE-4-CARBOXYLICACID

Chemical Property of 1-(5-Chlorobenzo[D]oxazol-2-YL)piperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.01E-09mmHg at 25°C
• Refractive Index: 1.636
• Boiling Point: 472.2 °C at 760 mmHg
• Flash Point: 239.4 °C
• PSA: 66.57000
• Density: 1.431 g/cm³
• LogP: 2.84720
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 280.0614700
• Heavy Atom Count: 19
• Complexity: 347

Purity/Quality:

97% ^*data from raw suppliers

1-(5-Chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)O)C2=NC3=C(O2)C=CC(=C3)Cl

Technology Process of 1-(5-Chlorobenzo[D]oxazol-2-YL)piperidine-4-carboxylic acid

There total 1 articles about 1-(5-Chlorobenzo[D]oxazol-2-YL)piperidine-4-carboxylic acid 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:

5-chloro-2-mercaptobenzoxazole (22876-19-3) → C13H13ClN2O3 (936074-51-0)

Guidance literature:

Multi-step reaction with 3 steps

1: chlorine / dichloromethane / 4 h / 0 - 20 °C

2: triethylamine / dichloromethane / 2 h / 20 °C

3: sodium hydroxide / methanol; water

With chlorine; triethylamine; sodium hydroxide; In methanol; dichloromethane; water;

DOI:10.1016/j.bmcl.2012.10.040

Reference yield:

[(1R,3R)-3-aminocyclohexyl]methanol (1389391-48-3) + C13H13ClN2O3 (936074-51-0) → C20H26ClN3O3 (1359985-36-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1055/s-0031-1289884

upstream raw materials:

5-chloro-2-mercaptobenzoxazole

Downstream raw materials:

C₂₀H₂₆ClN₃O₃