2H-Indol-2-one, 3-[(4-bromophenyl)methylene]-1,3-dihydro-

Base Information

• Chemical Name: 2H-Indol-2-one, 3-[(4-bromophenyl)methylene]-1,3-dihydro-
• CAS No.: 76086-99-2
• Molecular Formula: C₁₅H₁₀BrNO
• Molecular Weight: 300.154
• DSSTox Substance ID: DTXSID40359448

Synonyms:2H-Indol-2-one, 3-[(4-bromophenyl)methylene]-1,3-dihydro-;76086-99-2;3-[(4-BROMOPHENYL)METHYLIDENE]-1H-INDOL-2-ONE;SU 4942;SU-4942;SU4942;3-(4-Bromobenzylidene)-1,3-dihydroindol-2-one;DTXSID40359448;AKOS030229432

Chemical Property of 2H-Indol-2-one, 3-[(4-bromophenyl)methylene]-1,3-dihydro-

Chemical Property:

• Melting Point: 191 - 192 °C
• Boiling Point: 487.7±45.0 °C(Predicted)
• PKA: 12.73±0.20(Predicted)
• PSA: 29.10000
• Density: 1.539±0.06 g/cm3(Predicted)
• LogP: 4.07980
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 298.99458
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

97% ^*data from raw suppliers

SU4942 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Br)C(=O)N2

Technology Process of 2H-Indol-2-one, 3-[(4-bromophenyl)methylene]-1,3-dihydro-

There total 11 articles about 2H-Indol-2-one, 3-[(4-bromophenyl)methylene]-1,3-dihydro- 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%

2-oxoindole (59-48-3) + 4-Bromobenzylamine (3959-07-7) → (E)-3-(4‘-bromobenzylidene)indolin-2-one (76086-99-2,90828-10-7,90828-11-8)

Guidance literature:

With oxygen; iron(II) bromide; at 100 ℃; for 16h; Schlenk technique;

DOI:10.1002/ejoc.202001300

Reference yield: 92.0%

2-oxoindole (59-48-3) + 4-bromo-benzaldehyde (1122-91-4) → SU4942 (90828-10-7,90828-11-8,76086-99-2)

Guidance literature:

With [1-(3-sulfonic acid)]propyl-3-methylimidazolium hydrogen sulfate; at 80 ℃; for 1h;

DOI:10.1515/HC.2008.14.4.263

Reference yield: 86.0%

2-oxoindole (59-48-3) + 4-bromo-benzaldehyde (1122-91-4) → (E)-3-(4‘-bromobenzylidene)indolin-2-one (76086-99-2,90828-10-7,90828-11-8)

Guidance literature:

With piperidine; In ethanol; at 90 ℃; diastereoselective reaction;

DOI:10.1016/j.bioorg.2022.105622

upstream raw materials:

3-(Phenylamino-p-tolyl-methyl)-1,3-dihydro-indol-2-one

3-phenylrhodanine

(4-methylbenzylidene)phenylamine

2-oxoindole

Downstream raw materials:

3-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-2-oxo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester

C₂₂H₁₈BrNO

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