2-Indolinone, 1,3,3-trimethyl-

Base Information

• Chemical Name: 2-Indolinone, 1,3,3-trimethyl-
• CAS No.: 20200-86-6
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID50174048
• Nikkaji Number: J131.402E
• Wikidata: Q83044097
• Mol file: 20200-86-6.mol

Synonyms:20200-86-6;2-Indolinone, 1,3,3-trimethyl-;1,3,3-trimethylindolin-2-one;1,3,3-trimethylindol-2-one;2H-Indol-2-one, 1,3-dihydro-1,3,3-trimethyl-;1,3,3-Trimethyloxindole;1,3,3-Trimethyl-2,3-dihydro-1H-indole-2-one;SCHEMBL1260714;1,3,3-Trimethylindoline-2-one;DTXSID50174048;1,3,3-trimethyl-1H-indol-2-one;MFCD00463901;AKOS022666919;SB65932;1,3,3-Trimethyl-1,3-dihydro-2H-indol-2-one;1,3,3-Trimethyl-1,3-dihydro-2H-indol-2-one #

Chemical Property of 2-Indolinone, 1,3,3-trimethyl-

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Melting Point: 50 °C
• Boiling Point: 333.3oC at 760 mmHg
• PKA: 0.49±0.40(Predicted)
• Flash Point: 156.8oC
• PSA: 20.31000
• Density: 1.065g/cm3
• LogP: 2.00560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

1,3-DIHYDRO-3,3-DIMETHYL-2H-INDOL-2-ONE, N-ME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2N(C1=O)C)C

Technology Process of 2-Indolinone, 1,3,3-trimethyl-

There total 51 articles about 2-Indolinone, 1,3,3-trimethyl- 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: 87.0%

1-(3-Nitro-phenyl)-2-[1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidene]-ethanone (113639-16-0) → 1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one (20200-86-6) + 3-nitrophenylacetylene (3034-94-4)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 80 ℃; for 4h; Yields of byproduct given;

DOI:10.1007/BF00475641

Reference yield: 84.0%

2-(N-methylmethacrylamido)phenyl trifluoromethanesulfonate + bromobenzene (108-86-1,52753-63-6) → 1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one (20200-86-6) + 3-benzyl-1,3-dihydro-1,3-dimethyl-2H-indol-2-one (93683-45-5)

Guidance literature:

With [2,2]bipyridinyl; potassium phosphate; bis(pinacol)diborane; nickel dichloride; zinc; In N,N-dimethyl acetamide; at 100 ℃; for 12h; Solvent; Reagent/catalyst; Sealed tube;

DOI:10.1021/jacs.8b08190

Reference yield: 79.0%

1-(4-Bromo-phenyl)-2-[1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidene]-ethanone (113639-18-2) → 4-bromo-1-ethynylbenzene (766-96-1) + 1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one (20200-86-6)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 80 ℃; for 4h; Yields of byproduct given;

DOI:10.1007/BF00475641

upstream raw materials:

methanol

3-methylindolin-2-one

sodium methylate

methyl iodide

Downstream raw materials:

3,3-dimethyloxindole

5-amino-1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one

5-benzyloxy-1,3,3-trimethylindoline

5-chloro-1,3,3-trimethylindoline