Ethyl 5-phenyl-1H-indole-2-carboxylate

Base Information

• Chemical Name: Ethyl 5-phenyl-1H-indole-2-carboxylate
• CAS No.: 66616-69-1
• Molecular Formula: C17H15NO2
• Molecular Weight: 265.312
• ChEMBL ID: CHEMBL1939867
• DSSTox Substance ID: DTXSID30496679
• Wikidata: Q82345699

Synonyms:Ethyl 5-phenyl-1H-indole-2-carboxylate;CHEMBL1939867;66616-69-1;5-phenyl-2-carbethoxyindole;SCHEMBL419130;DTXSID30496679;LGCJHSHDRDEELV-UHFFFAOYSA-N;BDBM50361625;5-Phenyl-1H-indole-2-carboxylic Acid Ethyl Ester

Chemical Property of Ethyl 5-phenyl-1H-indole-2-carboxylate

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 265.110278721
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC=CC=C3

Technology Process of Ethyl 5-phenyl-1H-indole-2-carboxylate

There total 14 articles about Ethyl 5-phenyl-1H-indole-2-carboxylate 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: 93.0%

5-chloro-indole-2-carboxylic acid ethyl ester (4792-67-0) + phenylboronic acid (98-80-6) → 5-phenyl-1H-indole-2-carboxylic acid ethyl ester (66616-69-1)

Guidance literature:

5-chloro-indole-2-carboxylic acid ethyl ester; phenylboronic acid; With palladium diacetate; (R)-6-dicyclohexylphoshino-6'-diphenylphosphino-3,3'-dimethoxy-2,2',4,4'-tetramethyl-1,1'-biphenyl; In dodecane; butan-1-ol; at 25 ℃; for 16h; Inert atmosphere; Glovebox;

With cesiumhydroxide monohydrate; In dodecane; water; butan-1-ol; at 25 ℃; Inert atmosphere; Glovebox;

DOI:10.1002/ejoc.201200918

Reference yield: 79.6%

ethyl (Z)-3-([1,1'-biphenyl]-3-yl)-2-acetamidoacrylate → 5-phenyl-1H-indole-2-carboxylic acid ethyl ester (66616-69-1)

Guidance literature:

With potassium carbonate; In water; toluene; at 80 ℃; for 16h;

DOI:10.1021/acs.orglett.6b01592

Reference yield: 58.0%

C17H18N2O2 (1381870-29-6) → 5-phenyl-1H-indole-2-carboxylic acid ethyl ester (66616-69-1)

Guidance literature:

With ethyl esters of polyphosphoric acid; at 80 ℃; for 0.333333h;

DOI:10.3998/ark.5550190.0013.613

upstream raw materials:

ethyl 5-bromoindolecarboxylate

phenylboronic acid

C₁₇H₁₈N₂O₂

5-chloro-indole-2-carboxylic acid ethyl ester

Downstream raw materials:

ethyl 5-phenyl-1-[3-(trityloxy)propyl]-1H-indole-2-carboxylate

ethyl N-n-butyl-5-phenylindole-2-carboxylate

ethyl 3-dimethylaminomethyl-5-phenylindole-2-carboxylate

ethyl N-ethyl-5-phenylindole-2-carboxylate

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