1-(3,3-dimethyl-2-oxobutyl)-1H-indole-2,3-dione

Base Information

• Chemical Name: 1-(3,3-dimethyl-2-oxobutyl)-1H-indole-2,3-dione
• CAS No.: 214417-82-0
• Molecular Formula: C₁₄H₁₅NO₃
• Molecular Weight: 245.278
• UNII: 954U53UV4D
• Nikkaji Number: J1.422.475K
• ChEMBL ID: CHEMBL82686
• Mol file: 214417-82-0.mol

Synonyms:1-(3,3-dimethyl-2-oxobutyl)-1H-indole-2,3-dione;1-(3,3-dimethyl-2-oxobutyl)indole-2,3-dione;214417-82-0;D0VP6M;CHEMBL82686;1-(3,3-Dimethyl-2-oxo-butyl)-1H-indole-2,3-dione;954U53UV4D;STK506481;AKOS001570268;CCG-198354;PD178877;1-(2-Oxo-3,3-dimethylbutyl)-2,3-indolinedione;SR-01000550574;SR-01000550574-1;1H-Indole-2,3-dione, 1-(3,3-dimethyl-2-oxobutyl)-;1-(3,3-Dimethyl-2-oxidanylidene-butyl)indole-2,3-dione

Chemical Property of 1-(3,3-dimethyl-2-oxobutyl)-1H-indole-2,3-dione

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.10519334
• Heavy Atom Count: 18
• Complexity: 394

Purity/Quality:

98%min ^*data from raw suppliers

1-(3,3-Dimethyl-2-oxobutyl)-1H-indole-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(3,3-dimethyl-2-oxobutyl)-1H-indole-2,3-dione

There total 4 articles about 1-(3,3-dimethyl-2-oxobutyl)-1H-indole-2,3-dione 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: 60.0%

β-ethylenacetal of 1-(3,3-dimethyl-2-oxobutyl)indole-2,3-dione (300588-82-3) → 1-(3,3-dimethyl-2-oxobutyl)indole-2,3-dione (214417-82-0)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1007/BF02315194

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 1-Bromopinacolon (5469-26-1) → 1-(3,3-dimethyl-2-oxobutyl)indole-2,3-dione (214417-82-0)

Guidance literature:

indole-2,3-dione; With polymeric BEMP; In acetonitrile; at 25 ℃; for 0.166667h;

1-Bromopinacolon; In acetonitrile; at 45 ℃; for 16h;

DOI:10.1016/S0960-894X(00)00523-0

Reference yield:

spiro[1,3-dioxolane-2,3'-indolin]-2'-one (6714-68-7) → 1-(3,3-dimethyl-2-oxobutyl)indole-2,3-dione (214417-82-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / Br₂

2: 60 percent / HCl / ethanol / Heating

With hydrogenchloride; bromine; In ethanol; 1: Substitution / 2: Hydrolysis;

DOI:10.1007/BF02315194

upstream raw materials:

β-ethylenacetal of 1-(3,3-dimethyl-2-oxobutyl)indole-2,3-dione

indole-2,3-dione

1-Bromopinacolon

spiro[1,3-dioxolane-2,3'-indolin]-2'-one