4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide

Base Information

• Chemical Name: 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
• CAS No.: 583025-23-4
• Molecular Formula: C19H24N2O2S
• Molecular Weight: 344.478
• DSSTox Substance ID: DTXSID80457417
• Wikidata: Q82280259
• Pharos Ligand ID: 1R5PC3ZQ2ZXS
• ChEMBL ID: CHEMBL388247

Synonyms:583025-23-4;4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide;4-Butyl-N-(1,2,3,4-tetrahydro-isoquinolin-7-yl)-benzenesulfonamide;CHEMBL388247;SCHEMBL6150538;DTXSID80457417;CDLTZBNPLAYVJT-UHFFFAOYSA-N

Chemical Property of 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 344.15584919
• Heavy Atom Count: 24
• Complexity: 480

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCNC3)C=C2

Technology Process of 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide

There total 3 articles about 4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide 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: 78.0%

7-(4-butyl-benzenesulfonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (956102-05-9) → 4-butyl-N-(1,2,3,4-tetrahydro-isoquinolin-7-yl)-benzenesulfonamide (583025-23-4)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2006.10.036

Reference yield:

4-butylbenzene-1-sulfonyl chloride (54997-92-1) → 4-butyl-N-(1,2,3,4-tetrahydro-isoquinolin-7-yl)-benzenesulfonamide (583025-23-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / pyridine / CH₂Cl₂ / 12 h / 20 °C

2: 78 percent / HCl / ethanol / 2 h / 20 °C

With pyridine; hydrogenchloride; In ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.10.036

Reference yield:

tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate (171049-41-5) → 4-butyl-N-(1,2,3,4-tetrahydro-isoquinolin-7-yl)-benzenesulfonamide (583025-23-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / pyridine / CH₂Cl₂ / 12 h / 20 °C

2: 78 percent / HCl / ethanol / 2 h / 20 °C

With pyridine; hydrogenchloride; In ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.10.036

upstream raw materials:

7-(4-butyl-benzenesulfonylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

4-butylbenzene-1-sulfonyl chloride

tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

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