5,6,7,8-Tetrahydroquinolin-8-yl acetate

Base Information

• Chemical Name: 5,6,7,8-Tetrahydroquinolin-8-yl acetate
• CAS No.: 14631-47-1
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.22600
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80481318
• Mol file: 14631-47-1.mol

Synonyms:14631-47-1;5,6,7,8-Tetrahydroquinolin-8-yl acetate;5,6,7,8-Tetrahydro-8-quinolinol acetate;8-acetoxy-5,6,7,8-tetrahydroquinoline;8-Quinolinol, 5,6,7,8-tetrahydro-, 8-acetate;SCHEMBL3312248;DTXSID80481318;QTEIQTRPDDPVKV-UHFFFAOYSA-N;5,6,7,8-Tetrahydroquinolin-8-ylacetate;CS-0209764;FT-0734917;G10604

Chemical Property of 5,6,7,8-Tetrahydroquinolin-8-yl acetate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 302.414oC at 760 mmHg
• PKA: 5.21±0.40(Predicted)
• Flash Point: 136.695oC
• PSA: 39.19000
• Density: 1.15g/cm3
• LogP: 2.02210
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

5,6,7,8-Tetrahydroquinolin-8-ylacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCCC2=C1N=CC=C2

Technology Process of 5,6,7,8-Tetrahydroquinolin-8-yl acetate

There total 4 articles about 5,6,7,8-Tetrahydroquinolin-8-yl acetate 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: 88.0%

5,6,7,8-tetrahydroquinoline N-oxide (14631-48-2) + acetic anhydride (108-24-7) → 5,6,7,8-tetrahydroquinolin-8-yl acetate (14631-47-1)

Guidance literature:

at 120 ℃; for 1h;

DOI:10.1002/cmdc.202000300

Reference yield:

5,6,7,8-tetrahydroquinoline (10500-57-9) → 5,6,7,8-tetrahydroquinolin-8-yl acetate (14631-47-1)

Guidance literature:

5,6,7,8-tetrahydroquinoline; With dihydrogen peroxide; acetic acid; In water; at 70 ℃;

With sodium carbonate; In chloroform; for 1h;

With acetic anhydride; at 90 ℃;

Reference yield:

5,6,7,8-tetrahydroquinoline N-oxide (14631-48-2) → 5,6,7,8-tetrahydroquinolin-8-yl acetate (14631-47-1)

Guidance literature:

With acetic anhydride;

upstream raw materials:

5,6,7,8-tetrahydroquinoline

5,6,7,8-tetrahydroquinoline N-oxide

acetic anhydride

Downstream raw materials:

(R)-8-hydroxy-5,6,7,8-tetrahydroquinoline

5,6,7,8-tetrahydroquinoline-8-ol