Ethyl 2-[2-(2-Methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido)acetate

Base Information

• Chemical Name: Ethyl 2-[2-(2-Methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido)acetate
• CAS No.: 316124-90-0
• Molecular Formula: C24H26N2O5S
• Molecular Weight: 454.54
• DSSTox Substance ID: DTXSID60404404
• Nikkaji Number: J1.474.283B
• Mol file: 316124-90-0.mol

Synonyms:316124-90-0;Ethyl 2-[2-(2-Methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido)acetate;Ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate;DTXSID60404404;FT-0668332;J-018493;Ethyl 2-((8-((4-methylphenyl)sulfonamido)-2-(2-methylprop-1-en-1-yl)quinolin-6-yl)oxy)acetate

Chemical Property of Ethyl 2-[2-(2-Methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido)acetate

Chemical Property:

• Melting Point: 149-151°C
• PSA: 102.97000
• LogP: 5.86290
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 454.15624311
• Heavy Atom Count: 32
• Complexity: 751

Purity/Quality:

95% ^*data from raw suppliers

Ethyl2-[2-(2-Methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC(=C2C(=C1)C=CC(=N2)C=C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Technology Process of Ethyl 2-[2-(2-Methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido)acetate

There total 7 articles about Ethyl 2-[2-(2-Methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido)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: 67.0%

ethyl bromoacetate (105-36-2) + 4-methyl-N-(6-hydroxy-2-(2-methyl-1-propenyl)-8-quinolyl)benzenesulfonamide (316124-87-5) → ethyl 2-[2-(2-methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido]acetate (316124-90-0)

Guidance literature:

With potassium carbonate; In acetone; for 4h; Heating;

DOI:10.1021/jo000678x

Reference yield:

6-methoxy-2-methyl-8-nitroquinoline (54232-06-3) → ethyl 2-[2-(2-methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido]acetate (316124-90-0)

Guidance literature:

Multi-step reaction with 6 steps

1.1: 63 percent / selenious acid / dioxane; H₂O / 1 h / Heating

2.1: sodium hydroxide / CH₂Cl₂; H₂O / 5 h

2.2: 83 percent / p-toluenesulfonic acid / ethanol / 6 h / Heating

3.1: 83 percent / iron powder; glacial acetic acid / ethanol / 3.5 h / Heating

4.1: 91 percent / pyridine / CH₂Cl₂

5.1: 98 percent / boron tribromide / CH₂Cl₂ / 4 h / Heating

6.1: 67 percent / potassium carbonate / acetone / 4 h / Heating

With pyridine; sodium hydroxide; boron tribromide; selenious acid; iron; potassium carbonate; acetic acid; In 1,4-dioxane; ethanol; dichloromethane; water; acetone; 1.1: Mathur oxidation / 2.1: Wittig reaction;

DOI:10.1021/jo000678x

Reference yield:

6-methoxy-8-nitroquinolinecarbaldehyde (133378-39-9) → ethyl 2-[2-(2-methyl-1-propenyl)-6-quinolyloxy-8-p-toluenesulfonamido]acetate (316124-90-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium hydroxide / CH₂Cl₂; H₂O / 5 h

1.2: 83 percent / p-toluenesulfonic acid / ethanol / 6 h / Heating

2.1: 83 percent / iron powder; glacial acetic acid / ethanol / 3.5 h / Heating

3.1: 91 percent / pyridine / CH₂Cl₂

4.1: 98 percent / boron tribromide / CH₂Cl₂ / 4 h / Heating

5.1: 67 percent / potassium carbonate / acetone / 4 h / Heating

With pyridine; sodium hydroxide; boron tribromide; iron; potassium carbonate; acetic acid; In ethanol; dichloromethane; water; acetone; 1.1: Wittig reaction;

DOI:10.1021/jo000678x

upstream raw materials:

ethyl bromoacetate

4-methyl-N-(6-hydroxy-2-(2-methyl-1-propenyl)-8-quinolyl)benzenesulfonamide

6-methoxy-2-methyl-8-nitroquinoline

6-methoxy-8-nitroquinolinecarbaldehyde

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