2-(4-chloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

Base Information

• Chemical Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
• CAS No.: 6495-96-1
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.337
• DSSTox Substance ID: DTXSID90361834
• Wikidata: Q82144384

Synonyms:6495-96-1;DTXSID90361834;2-(4-chloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide;STK977559;AKOS003200906;SR-01000235888;SR-01000235888-1;N~2~-(4-chlorophenyl)-N-(4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide

Chemical Property of 2-(4-chloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

Chemical Property:

• Density: 1.473g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 356.0397693
• Heavy Atom Count: 23
• Complexity: 495

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)F)C2=CC=C(C=C2)Cl

Technology Process of 2-(4-chloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

There total 17 articles about 2-(4-chloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide 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: 77.0%

8,9-Dimethoxy-1,2,3,4,11,11a-hexahydro-pyrido[1,2-b]isoquinolin-6-one (184356-23-8) → 8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizine (6495-96-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 1h;

DOI:10.1016/0040-4039(96)01765-0

Reference yield: 50.0%

8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizin-2(3H)-one (16675-71-1) → 8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizine (6495-96-1)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In various solvent(s); 1.) reflux, 90 min., 2.) 190 deg C, 3 h;

Reference yield:

Tripiperidin (522-33-8,2583-71-3,60537-08-8) → 8,9-dimethoxy-4,6,11,11a-tetrahydro-1H-benzoquinolizine (6495-96-1)

Guidance literature:

Multi-step reaction with 5 steps

1: toluene / 5 h / Heating

2: 76 percent / Et₃N / toluene / Heating

3: 55 percent / 1.) BuLi / tetrahydrofuran / 1.) from -78 deg C to room temp.; 2.) from -30 deg C to room temp.

4: 56 percent / diethyl ether / 1.5 h / Irradiation

5: 77 percent / LiAlH₄ / diethyl ether / 1 h / 0 °C

With lithium aluminium tetrahydride; n-butyllithium; triethylamine; In tetrahydrofuran; diethyl ether; toluene;

DOI:10.1016/0040-4039(96)01765-0

upstream raw materials:

formaldehyd

2-(3,4-dimethoxybenzyl)piperidine

formic acid

8,9-dimethoxy-1,3,4,11a-tetrahydro-2H,6H-pyrido[1,2-b]isoquinolin-11-one

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