1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)-

Base Information

• Chemical Name: 1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)-
• CAS No.: 99448-75-6
• Molecular Formula: C16H13NO2
• Molecular Weight: 251.285
• DSSTox Substance ID: DTXSID80366959
• Nikkaji Number: J2.869.886K
• Wikidata: Q82152478
• ChEMBL ID: CHEMBL1705225

Synonyms:99448-75-6;1-benzyl-5-methylindoline-2,3-dione;1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)-;1-Benzyl-5-methyl-1H-indole-2,3-dione;1-benzyl-5-methylisatin;MLS002473337;SCHEMBL578250;CHEMBL1705225;DTXSID80366959;VYYHRKXFEWQHDT-UHFFFAOYSA-N;HMS2215I14;HMS3336D18;AKOS000246164;SMR001397431;1-benzyl-5-methyl-2,3-dihydro-1H-indole-2,3-dione

Chemical Property of 1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.094628657
• Heavy Atom Count: 19
• Complexity: 373

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N(C(=O)C2=O)CC3=CC=CC=C3

Technology Process of 1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)-

There total 13 articles about 1H-Indole-2,3-dione, 5-methyl-1-(phenylmethyl)- 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: 86.0%

5-methyl-indole-2,3-dione (608-05-9) + benzyl bromide (100-39-0) → 1-benzyl-5-methylindoline-2,3-dione (99448-75-6)

Guidance literature:

5-methyl-indole-2,3-dione; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.0833333h; Inert atmosphere;

benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c6cc08996h

Reference yield: 85.0%

benzyl(2-ethynyl-4-methylphenyl)amine (1562565-93-8) → 1-benzyl-5-methylindoline-2,3-dione (99448-75-6)

Guidance literature:

With iodine; oxygen; In dimethyl sulfoxide; at 20 - 100 ℃; for 5h;

DOI:10.1021/acs.joc.5b00581

Reference yield: 83.6%

N-benzyl-N-(p-tolyl)glycine ethyl ester → 1-benzyl-5-methylindoline-2,3-dione (99448-75-6)

Guidance literature:

With oxygen; trifluoroacetic acid; In dichloromethane; at 80 ℃; for 8h;

upstream raw materials:

5-methyl-indole-2,3-dione

benzyl bromide

N-benzyl-N-(4-methylphenyl)amine

carbon monoxide

Downstream raw materials:

(3R)-1-benzyl-3-hydroxy-5-methyl-3-[(1S,2E)-1-phenylpent-2-enyl]indolin-2-one

(R)-benzyl 2-(1-benzyl-3-hydroxy-5-methyl-2-oxoindolin-3-yl)acrylate

(2R,3S)-1'-benzyl-5'-methyl-3-phenyl-3H-spiro[furan-2,3'-indoline]-2',5(4H)-dione

(Z)-N'-(1-benzyl-5-methyl-2-oxoindolin-3-ylidene)isonicotinohydrazide

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