2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl-

Base Information

• Chemical Name: 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl-
• CAS No.: 3335-86-2
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• European Community (EC) Number: 829-438-8
• DSSTox Substance ID: DTXSID10454570
• Nikkaji Number: J698.977B
• Mol file: 3335-86-2.mol

Synonyms:3335-86-2;2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl-;3-HYDROXY-1-METHYL-3H-INDOL-2-ONE;1,3-dihydro-3-hydroxy-1-methyl-2H-Indol-2-one;3-hydroxy-1-methyl-2,3-dihydro-1H-indol-2-one;3-hydroxy-1-methylindolin-2-one;3-hydroxy-methyloxindole;3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one;SCHEMBL17974970;DTXSID10454570;1-Methyl-3-hydroxyindolin-2-one;AKOS006291877;CS-0300845;EN300-374751;AP-123/40171998

Chemical Property of 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl-

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(C1=O)O

Technology Process of 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl-

There total 3 articles about 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl- 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: 92.0%

3-hydroxy-1-methyl-3-((3-methyl-4-nitroisoxazol-5-yl)methyl)indolin-2-one → 3,5-dimethyl-4-nitroisoxazole (1123-49-5) + 3-hydroxy-1-methyl-indolin-2-one (3335-86-2,114581-75-8,124508-46-9)

Guidance literature:

With sodium tetrahydroborate; In water; at 20 ℃; for 3h;

DOI:10.1039/c9nj03209f

Reference yield: 56.0%

N-methyl-2-oxo-N-phenylacetamide → 1-methyl-1H-indole-2,3-dione (2058-74-4) + 3-hydroxy-1-methyl-indolin-2-one (3335-86-2,114581-75-8,124508-46-9)

Guidance literature:

With copper(I) triflate; In tetrahydrofuran; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ja103426d

Reference yield:

3-hydroxy-3-(2-hydroxypropan-2-yl)-1-methylindolin-2-one → 3-hydroxy-1-methyl-indolin-2-one (3335-86-2,114581-75-8,124508-46-9) + acetone (67-64-1)

Guidance literature:

With pyridinium p-toluenesulfonate; In benzene; Heating;

DOI:10.1016/j.tet.2014.10.071

Downstream raw materials:

1-methylindole

N-methyl-2-indolinone