3-Hydroxy-3-methyloxindole

Base Information

• Chemical Name: 3-Hydroxy-3-methyloxindole
• CAS No.: 3040-34-4
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• European Community (EC) Number: 887-181-7
• NSC Number: 121888
• DSSTox Substance ID: DTXSID50863086
• Nikkaji Number: J562.257C
• Wikidata: Q27103583
• Metabolomics Workbench ID: 38488
• ChEMBL ID: CHEMBL4593447
• Mol file: 3040-34-4.mol

Synonyms:3-hydroxy-3-methyloxindole

Chemical Property of 3-Hydroxy-3-methyloxindole

Chemical Property:

• Vapor Pressure: 2.19E-06mmHg at 25°C
• Boiling Point: 378°Cat760mmHg
• Flash Point: 182.4°C
• PSA: 52.82000
• Density: 1.29g/cm³
• LogP: 0.93130
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 217

Purity/Quality:

98%+ ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2NC1=O)O

Technology Process of 3-Hydroxy-3-methyloxindole

There total 3 articles about 3-Hydroxy-3-methyloxindole 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: 82.0%

3-Methylindole (83-34-1) → 3-hydroxy-3-methyloxindole (16990-74-2,3040-34-4)

Guidance literature:

With cerium(III) chloride; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In water; acetonitrile; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2007.01.054

Reference yield: 47.0%

3-Methylindole (83-34-1) → 3-methylindolin-2-one (1504-06-9) + 3-hydroxy-3-methyloxindole (16990-74-2,3040-34-4)

Guidance literature:

With dihydrogen peroxide; sodium chloride; chloroperoxidase; In phosphate buffer; acetone; at 20 ℃; for 4h; pH=2.75;

DOI:10.1016/S0040-4020(01)00837-7

Reference yield: 20.0%

3-methylindolin-2-one (1504-06-9) → 3-hydroxy-3-methyloxindole (16990-74-2,3040-34-4) + 2-aminoacetophenone (551-93-9)

Guidance literature:

With oxygen; Co(MeO-salen); In methanol; for 3h;

upstream raw materials:

3-methylindolin-2-one

3-Methylindole

Downstream raw materials:

3-[((2R,3S)-3-Azido-2-hydroxy-4-phenyl-butyl)-(3-methyl-butyl)-amino]-3-methyl-1,3-dihydro-indol-2-one

(R)-3-[((2R,3S)-3-Azido-2-hydroxy-4-phenyl-butyl)-isobutyl-amino]-3-methyl-1,3-dihydro-indol-2-one

(S)-3-[((2R,3S)-3-Azido-2-hydroxy-4-phenyl-butyl)-isobutyl-amino]-3-methyl-1,3-dihydro-indol-2-one

3-[((2R,3S)-3-Azido-2-hydroxy-4-phenyl-butyl)-benzyl-amino]-3-methyl-1,3-dihydro-indol-2-one

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