alpha-[2-(4-Ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-indole-3-acetic acid

Base Information

• Chemical Name: alpha-[2-(4-Ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-indole-3-acetic acid
• CAS No.: 78860-81-8
• Molecular Formula: C₂₂H₂₃NO₄
• Molecular Weight: 365.429
• DSSTox Substance ID: DTXSID801154995
• Mol file: 78860-81-8.mol

Synonyms:DTXSID801154995;alpha-[2-(4-Ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-indole-3-acetic acid;78860-81-8

Chemical Property of alpha-[2-(4-Ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-indole-3-acetic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 365.16270821
• Heavy Atom Count: 27
• Complexity: 528

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)CC(C2=C(N(C3=CC=CC=C32)C)C)C(=O)O

Technology Process of alpha-[2-(4-Ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-indole-3-acetic acid

There total 1 articles about alpha-[2-(4-Ethoxyphenyl)-2-oxoethyl]-1,2-dimethyl-1H-indole-3-acetic acid 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: 89.0%

1,2-dimethylindole (875-79-6) + (E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid (29582-31-8) → 2-(1,2-Dimethyl-1H-indol-3-yl)-4-(4-ethoxy-phenyl)-4-oxo-butyric acid (78860-81-8)

Guidance literature:

In benzene; for 10h; Heating;

Reference yield: 91.0%

2-(1,2-Dimethyl-1H-indol-3-yl)-4-(4-ethoxy-phenyl)-4-oxo-butyric acid (78860-81-8) → 4-(1,2-Dimethyl-1H-indol-3-yl)-6-(4-ethoxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one (78860-89-6)

Guidance literature:

With hydrazine hydrate;

Reference yield: 89.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-(1,2-Dimethyl-1H-indol-3-yl)-4-(4-ethoxy-phenyl)-4-oxo-butyric acid (78860-81-8) → 2-(1,2-Dimethyl-1H-indol-3-yl)-4-(4-ethoxy-phenyl)-4-oxo-butyric acid methyl ester (78861-06-0)

Guidance literature:

In diethyl ether; at 0 ℃; for 48h;

upstream raw materials:

1,2-dimethylindole

(E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid

Downstream raw materials:

2-(1,2-Dimethyl-1H-indol-3-yl)-4-(4-ethoxy-phenyl)-4-oxo-butyric acid methyl ester

4-(1,2-Dimethyl-1H-indol-3-yl)-6-(4-ethoxy-phenyl)-4,5-dihydro-2H-pyridazin-3-one

4-(1,2-Dimethyl-1H-indol-3-yl)-6-(4-ethoxy-phenyl)-2-phenyl-4,5-dihydro-2H-pyridazin-3-one