3-[(2-chloro-4-ethoxyphenyl)methyl]-2-methyl-1H-indole-5-carboxylic acid

Base Information

• Chemical Name: 3-[(2-chloro-4-ethoxyphenyl)methyl]-2-methyl-1H-indole-5-carboxylic acid
• CAS No.: 245368-45-0
• Molecular Formula: C₁₉H₁₈ClNO₃
• Molecular Weight: 343.81
• DSSTox Substance ID: DTXSID001149695

Synonyms:SCHEMBL6322652;DTXSID001149695;3-[(2-chloro-4-ethoxyphenyl)methyl]-2-methyl-1H-indole-5-carboxylic acid;245368-45-0

Chemical Property of 3-[(2-chloro-4-ethoxyphenyl)methyl]-2-methyl-1H-indole-5-carboxylic acid

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 343.0975211
• Heavy Atom Count: 24
• Complexity: 446

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC(=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=O)O)C)Cl

Technology Process of 3-[(2-chloro-4-ethoxyphenyl)methyl]-2-methyl-1H-indole-5-carboxylic acid

There total 1 articles about 3-[(2-chloro-4-ethoxyphenyl)methyl]-2-methyl-1H-indole-5-carboxylic 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:

3-(2-chloro-4-iodobenzyl)-5-(methoxycarbonyl)-2-methylindole (245368-22-3) → 5-carboxy-3-(2-chloro-4-ethoxybenzyl)-2-methylindole (245368-45-0)

Guidance literature:

In 3-(2-chloro-4-phenylethenyl)benzyl)-5-(methoxycarbonyl)-2-methylindole;

Reference yield:

5-carboxy-3-(2-chloro-4-ethoxybenzyl)-2-methylindole (245368-45-0) + 1-pentylsulfonamide (52960-14-2) → 3-(2-chloro-4-ethoxybenzyl)-2-methyl-5-(1-pentanesulfonylcarbamoyl)indole

Guidance literature:

With diaza-bicyclo-undecene; 1,1'-carbonyldiimidazole;

Reference yield:

5-carboxy-3-(2-chloro-4-ethoxybenzyl)-2-methylindole (245368-45-0) + toluene-4-sulfonamide (70-55-3) → 3-(2-chloro-4-ethoxybenzyl)-2-methyl-5-(4-methylbenzenesulfonylcarbamoyl)indole

Guidance literature:

With diaza-bicyclo-undecene; 1,1'-carbonyldiimidazole;

upstream raw materials:

3-(2-chloro-4-iodobenzyl)-5-(methoxycarbonyl)-2-methylindole

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