1-[(4-Nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline

Base Information

• Chemical Name: 1-[(4-Nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
• CAS No.: 182565-33-9
• Molecular Formula: C₁₅H₁₄N₂O₄S
• Molecular Weight: 318.353
• DSSTox Substance ID: DTXSID601204655
• Nikkaji Number: J774.691A
• ChEMBL ID: CHEMBL4073478
• Mol file: 182565-33-9.mol

Synonyms:Oprea1_003683;CBDivE_014105;CHEMBL4073478;DTXSID601204655;STK087037;AKOS003265387;SR-01000200576;SR-01000200576-1;1-(4-Nitrophenylsulfonyl)-1,2,3,4-tetrahydroquinoline;1,2,3,4-Tetrahydro-1-[(4-nitrophenyl)sulfonyl]quinoline;1-[(4-Nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline;1-[(4-Nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline #;Sulfone, (1,2,3,4-tetrahydroquinol-1-yl)(4-nitrophenyl)-;182565-33-9

Chemical Property of 1-[(4-Nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 318.06742811
• Heavy Atom Count: 22
• Complexity: 503

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 1-[(4-Nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline

There total 5 articles about 1-[(4-Nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline 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: 99.0%

N-[3-(2-iodo-phenyl)-propyl]-4-nitro-benzenesulfonamide → 1-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline (182565-33-9)

Guidance literature:

With copper(l) iodide; cesium acetate; In dimethyl sulfoxide; at 90 ℃; for 4h;

DOI:10.1055/s-2002-19782

Reference yield: 98.0%

N-[3-(2-bromo-phenyl)-propyl]-4-nitro-benzenesulfonamide → 1-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline (182565-33-9)

Guidance literature:

With copper(l) iodide; cesium acetate; In dimethyl sulfoxide; at 90 ℃; for 4.5h;

DOI:10.1055/s-2002-19782

Reference yield: 81.0%

N-[3-(2-bromo-5-iodo-phenyl)-propyl]-4-nitro-benzenesulfonamide → 1-(4-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline (182565-33-9) + 6-iodo-1-(4-nitro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline

Guidance literature:

With copper(l) iodide; cesium acetate; In dimethyl sulfoxide; at 90 ℃; for 5h;

DOI:10.1055/s-2002-19782

upstream raw materials:

N-p-nitrobenzenesulfonyl-3-phenylpropylamine

1,2,3,4-tetrahydroisoquinoline

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

1,2,3,4-tetrahydroisoquinoline