Ethyl 2-phenyl-2,3-dihydro-indole-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-phenyl-2,3-dihydro-indole-3-carboxylate
• CAS No.: 36779-16-5
• Molecular Formula: C17H15NO2
• Molecular Weight: 265.312
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40403056
• Mol file: 36779-16-5.mol

Synonyms:ETHYL 2-PHENYL-2,3-DIHYDRO-INDOLE-3-CARBOXYLATE;Ethyl 2-phenyl-2,3-dihydro-1H-indole-3-carboxylate;DTXSID40403056;ethyl 2-phenyl-2,3-dihydroindole-3-carboxylate

Chemical Property of Ethyl 2-phenyl-2,3-dihydro-indole-3-carboxylate

Chemical Property:

• PSA: 38.33000
• LogP: 3.63810
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 267.125928785
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

97% ^*data from raw suppliers

ETHYL 2-PHENYLINDOLE-3-CARBOXYLATE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(NC2=CC=CC=C12)C3=CC=CC=C3

Technology Process of Ethyl 2-phenyl-2,3-dihydro-indole-3-carboxylate

There total 56 articles about Ethyl 2-phenyl-2,3-dihydro-indole-3-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 (2Z)-3-phenyl-3-(phenylamino)prop-2-enoate (3556-76-1,124413-92-9,53256-22-7) → ethyl 2-phenyl-1H-indole-3-carboxylate (36779-16-5)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In decane; acetic acid; N,N-dimethyl-formamide; at 100 ℃; for 24h; Reagent/catalyst; Concentration; Temperature; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201201585

Reference yield: 98.0%

(Z)-ethyl 3-((2-iodophenyl)amino)-3-phenylacrylate → ethyl 2-phenyl-1H-indole-3-carboxylate (36779-16-5)

Guidance literature:

With potassium phosphate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; XPhos; In 1,4-dioxane; at 80 ℃; for 23h; Inert atmosphere;

DOI:10.1021/ol901565p

Reference yield: 96.0%

ethyl β-anilinocinnamate (53256-22-7,124413-92-9,3556-76-1) → ethyl 2-phenyl-1H-indole-3-carboxylate (36779-16-5)

Guidance literature:

With potassium iodide; In water; N,N-dimethyl-formamide; at 20 ℃; for 3h; Reagent/catalyst; Solvent; Electrochemical reaction; Inert atmosphere;

DOI:10.1039/c7cc00410a

upstream raw materials:

(2-phenyl-indol-3-yl)-glyoxylonitrile

nitrobenzene

phenylpropynoic acid ethyl ester

Nitrosobenzene

Downstream raw materials:

ethyl 1-(4-oxopentanoyl)-2-phenyl-1H-indole-3-carboxylate

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

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