1-Phenyloxindole

Base Information

• Chemical Name: 1-Phenyloxindole
• CAS No.: 3335-98-6
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• Hs Code.: 2933790090
• European Community (EC) Number: 441-020-3,608-864-6
• NSC Number: 234518
• UNII: 2FQG528CES
• DSSTox Substance ID: DTXSID50310944
• Nikkaji Number: J620.555K
• Wikidata: Q72498064
• ChEMBL ID: CHEMBL1305587
• Mol file: 3335-98-6.mol

Synonyms:1-phenylindolin-2-one

Chemical Property of 1-Phenyloxindole

Chemical Property:

• Appearance/Colour: White or white powder category
• Vapor Pressure: 4.56E-08mmHg at 25°C
• Melting Point: 123-125 °C
• Refractive Index: 1.648
• Boiling Point: 443.6 °C at 760 mmHg
• PKA: -3.41±0.20(Predicted)
• Flash Point: 222.7 °C
• PSA: 20.31000
• Density: 1.228 g/cm³
• LogP: 2.97240
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Practically insoluble in water
• Water Solubility.: 74.3mg/L at 20℃
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

≥99% ^*data from raw suppliers

1-Phenyl-1,3-dihydro-2H-indol-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3

Technology Process of 1-Phenyloxindole

There total 44 articles about 1-Phenyloxindole 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%

2-diazo-N,N-diphenyl-acetamide (38118-74-0) → 1-phenyl-1,3-dihydro-indol-2-one (3335-98-6)

Guidance literature:

With [(S)-(2-phenyl-4-pheox)Ru(CH₃CN)4]PF₆; In dichloromethane; at 20 ℃; for 0.0166667h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2020.131481

Reference yield: 95.0%

2-chloro-N,N-diphenylacetamide (5428-43-3) → 1-phenyl-1,3-dihydro-indol-2-one (3335-98-6)

Guidance literature:

With palladium diacetate; triethylamine; johnphos; In toluene; at 80 ℃; for 3h;

DOI:10.1021/ja037546g

Reference yield: 85.0%

3-(methylthio)-1-phenylindolin-2-one (79388-20-8) → 1-phenyl-1,3-dihydro-indol-2-one (3335-98-6)

Guidance literature:

With nickel; In ethanol; for 2h; Heating;

DOI:10.1055/s-1981-29515

upstream raw materials:

2-chloro-N,N-diphenylacetamide

3-hydroxy-1-phenyl-1,4,5,6-tetrahydro-indol-2-one

3-(methylthio)-1-phenylindolin-2-one

1-phenyl-indole-2,3-dione

Downstream raw materials:

3-bromo-1-phenyl-indolin-2-one

3-(4-diethylamino-phenylimino)-1-phenyl-indolin-2-one

1-phenyl-indoline-2,3-dione-3-phenylhydrazone

(Z)-3-benzylidene-1-phenylindolin-2-one