ethyl 3-phenyl-1H-indole-2-carboxylate

Base Information

• Chemical Name: ethyl 3-phenyl-1H-indole-2-carboxylate
• CAS No.: 37129-23-0
• Molecular Formula: C17H15 N O2
• Molecular Weight: 265.312
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50377077
• Nikkaji Number: J899.394G
• Wikidata: Q82166128
• ChEMBL ID: CHEMBL4538900
• Mol file: 37129-23-0.mol

Synonyms:ethyl 3-phenyl-1H-indole-2-carboxylate;37129-23-0;3-Phenyl-1H-indole-2-carboxylic acid ethyl ester;Ethyl3-Phenyl-1h-Indole-2-Carboxylate;Oprea1_851194;SCHEMBL2956667;3-phenyl-2-ethoxycarbonylindole;CHEMBL4538900;DTXSID50377077;JPDIBWCNNQFQEP-UHFFFAOYSA-N;MFCD00974211;STK504673;AKOS004119528;A6380;CS-0313553;FT-0639362;3-phenyl-1H-indolecarboxylic acid ethyl ester;2M-922;J-520906

Chemical Property of ethyl 3-phenyl-1H-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 2.94E-09mmHg at 25°C
• Melting Point: 134-136°C
• Boiling Point: 476.9°Cat760mmHg
• PKA: 14.76±0.30(Predicted)
• Flash Point: 242.2°C
• PSA: 42.09000
• Density: 1.197g/cm³
• LogP: 4.01160
• XLogP3: 4.2
• 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:

97% ^*data from raw suppliers

Ethyl3-phenyl-1H-indole-2-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)C3=CC=CC=C3

Technology Process of ethyl 3-phenyl-1H-indole-2-carboxylate

There total 31 articles about ethyl 3-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: 99.0%

ethyl 3-iodo-1H-indole-2-carboxylate (117637-79-3) + phenylboronic acid (98-80-6) → ethyl 3-phenyl-1H-indole-2-carboxylate (37129-23-0)

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; water; toluene; for 48h; Heating / reflux;

Reference yield: 99.0%

ethyl 2-[(2-benzoylphenyl)amino]-2-diethoxyphosphorylacetate → ethyl 3-phenyl-1H-indole-2-carboxylate (37129-23-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 20 ℃; for 1.5h;

DOI:10.1021/ol025916k

Reference yield: 97.0%

(Z)-ethyl 3-phenyl-2-(2-phenylhydrazono)propanoate (37129-22-9) → ethyl 3-phenyl-1H-indole-2-carboxylate (37129-23-0)

Guidance literature:

With thionyl chloride; In ethanol; at 80 ℃; for 0.666667h;

DOI:10.1016/j.tet.2008.11.028

upstream raw materials:

ethanol

3-phenyl-2-phenylhydrazono-propionic acid

(Z)-N-benzylideneaniline oxide

phenylpropynoic acid ethyl ester

Downstream raw materials:

3-phenyl-1H-indole

3-phenyl-1H-indole-2-carboxylic acid

1-(2-Nitro-phenyl)-3-phenyl-1H-indole-2-carboxylic acid ethyl ester

1-Cyanomethyl-3-phenyl-1H-indole-2-carboxylic acid ethyl ester