2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

Base Information

• Chemical Name: 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
• CAS No.: 47465-97-4
• Molecular Formula: C22H19 N O3
• Molecular Weight: 345.398
• Hs Code.: 29349990
• European Community (EC) Number: 256-318-7
• DSSTox Substance ID: DTXSID1052119
• Nikkaji Number: J422.505H
• Wikidata: Q27186329
• ChEMBL ID: CHEMBL1589652
• Mol file: 47465-97-4.mol

Synonyms:47465-97-4;3,3-Bis(4-hydroxy-3-methylphenyl)indolin-2-one;Isatin biscresol;Isatin Bis-cresol;3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one;2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-;1,3-Dihydro-3,3-bis(4-hydroxy-m-tolyl)-2H-indol-2-one;3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on;MLS000570994;1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one;EINECS 256-318-7;3,3-Bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2H-indol-2-one;C22H19NO3;SMR000187058;3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinone;Isatinbiscresol;Isatin-bis-cresol(IBK);SCHEMBL234892;cid_162076;CHEMBL1589652;DTXSID1052119;BDBM67951;CHEBI:107976;HMS2308P14;AKOS015896163;SB64987;1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one (IBK=Isatin-bis-cresol );NCGC00245607-01;AC-19474;LS-83763;3,3-bis(4-hydroxy-3-methyl-phenyl)oxindole;FT-0656440;3,3-bis(3-methyl-4-hydroxyphenyl)indoline-2-one;A827233;SR-01000474894;SR-01000474894-1;W-106072;3,3-bis(3-methyl-4-oxidanyl-phenyl)-1H-indol-2-one;Q27186329;3,3-bis-(3-methyl-4-hydroxyphenyl)-2-oxo-2,3-dihydroindole;3,3-Bis(4-hydroxy-3-methylphenyl)-1,3-dihydro-2H-indol-2-one #;3,3-Bis(3-methyl-4-hydroxyphenyl)-2-indolinone 100 microg/mL in Acetonitrile

Chemical Property of 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

Chemical Property:

• Vapor Pressure: 3.66E-13mmHg at 25°C
• Boiling Point: 560.4°Cat760mmHg
• PKA: 9.81±0.35(Predicted)
• Flash Point: 292.7°C
• PSA: 69.56000
• Density: 1.292g/cm³
• LogP: 4.13910
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 345.13649347
• Heavy Atom Count: 26
• Complexity: 510

Purity/Quality:

99% ^*data from raw suppliers

IsatinBis-cresol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C2(C3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)O)C)O
• Uses: It is useful as a material for polycarbonates. 3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on is useful as a material for polycarbonates

Technology Process of 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

There total 3 articles about 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)- 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: 96.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + ortho-cresol (95-48-7,77504-84-8) → 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one (47465-97-4)

Guidance literature:

With triethylsilane; trityl tetrakis(pentafluorophenyl)borate; In 1,2-dichloro-ethane; at 60 ℃; for 5h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.1c02058

Reference yield:

3,3-dichloro-2,3-dihydro-1H-indol-2-one (39033-45-9) + ortho-cresol (95-48-7,77504-84-8) → 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one (47465-97-4)

Guidance literature:

Reference yield:

→ 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one (47465-97-4)

Guidance literature:

Isatin, o-Kresol;

upstream raw materials:

3,3-dichloro-2,3-dihydro-1H-indol-2-one

ortho-cresol

indole-2,3-dione

Refernces