2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide

Base Information

• Chemical Name: 2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide
• CAS No.: 108977-91-9
• Molecular Formula: C17H14N2O2
• Molecular Weight: 278.31
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90388501
• Wikidata: Q82183514
• Mol file: 108977-91-9.mol

Synonyms:2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide;108977-91-9;2-(1-benzylindol-3-yl)-2-oxoacetamide;SCHEMBL14819907;DTXSID90388501;STK728625;AKOS001728181;CS-0339456;J-505313

Chemical Property of 2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide

Chemical Property:

• PSA: 65.09000
• LogP: 3.05790
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 278.105527694
• Heavy Atom Count: 21
• Complexity: 404

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Benzyl-1H-indol-3-yl)-2-oxoacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N

Technology Process of 2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide

There total 8 articles about 2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide 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: 71.0%

3-acetyl-1-benzyl-1H-indole (93315-38-9) → 2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide (108977-91-9)

Guidance literature:

With iodine; formamidine hydrochloride; In dimethyl sulfoxide; at 110 ℃; for 11h;

DOI:10.1039/c4ob02591a

Reference yield: 56.0%

ethyl 2-(1-benzyl-1H-indol-3-yl)acetimidate hydrochloride → 2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide (108977-91-9)

Guidance literature:

With oxygen; copper diacetate; In N,N-dimethyl-formamide; at 80 ℃; for 10h; under 760.051 Torr;

DOI:10.1021/acs.joc.6b01262

Reference yield:

indolyl-3-glyoxylyl chloride (22980-09-2) + benzylamine (100-46-9) → 2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide (108977-91-9)

Guidance literature:

With triethylamine; In toluene; at 20 ℃;

DOI:10.1016/j.ejmech.2013.09.001

upstream raw materials:

(1-benzyl-1H-indol-3-yl)-oxoacetylchloride

N-benzylindole

indole

indolyl-3-glyoxylyl chloride

Downstream raw materials:

N-benzyl-2-(1-benzyl-1H-indol-3-yl)-2-oxoacetamide