2,3,3-Trimethylindoline

Base Information

• Chemical Name: 2,3,3-Trimethylindoline
• CAS No.: 18781-58-3
• Molecular Formula: C₁₁H₁₅N
• Molecular Weight: 161.247
• European Community (EC) Number: 860-603-7
• DSSTox Substance ID: DTXSID90449141
• Nikkaji Number: J113.024B
• Mol file: 18781-58-3.mol

Synonyms:18781-58-3;2,3,3-TRIMETHYLINDOLINE;2,3,3-trimethyl-2,3-dihydro-1h-indole;2,3,3-trimethyl-1,2-dihydroindole;1H-Indole, 2,3-dihydro-2,3,3-trimethyl-;Indoline, 2,3,3-trimethyl-;SCHEMBL1316216;SCHEMBL1361622;SCHEMBL12629401;DTXSID90449141;IVWSGOOPQGMALJ-UHFFFAOYSA-N;AKOS023400462;AT37857;FT-0700971;EN300-302171;A810529;Z1262562152

Chemical Property of 2,3,3-Trimethylindoline

Chemical Property:

• Boiling Point: 118 °C(Press: 19 Torr)
• PKA: 5.35±0.60(Predicted)
• PSA: 12.03000
• Density: 0.932±0.06 g/cm3(Predicted)
• LogP: 2.91620
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

2,3,3-trimethyl-2,3-dihydro-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C2=CC=CC=C2N1)(C)C

Technology Process of 2,3,3-Trimethylindoline

There total 14 articles about 2,3,3-Trimethylindoline 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: 100.0%

2,3,3-trimethylindoleniune (1640-39-7) → 2,3,3-trimethyl-2,3-dihydro-1H-indole (18781-58-3,130760-87-1,130760-88-2)

Guidance literature:

With hydrogen; Li(Ir(dppe)I₄); In tetrahydrofuran; dichloromethane; at 20 ℃; for 2h; under 18751.5 Torr; Product distribution; other imines, catalysts, var. temperatures and reaction time;

DOI:10.1039/c39900000869

Reference yield: 80.0%

→ 2,3,3-trimethyl-2,3-dihydro-1H-indole (18781-58-3,130760-87-1,130760-88-2)

Guidance literature:

Reference yield:

4,4-Dimethyl-5-methylen-2-oxo-1-phenyl-1,3-oxazolidin (55476-04-5) → 2,3,3-trimethylindoleniune (1640-39-7) + aniline (62-53-3) + 2,3,3-trimethyl-2,3-dihydro-1H-indole (18781-58-3,130760-87-1,130760-88-2)

Guidance literature:

With zinc(II) chloride; In paraffin; at 200 - 210 ℃; for 8h; Yield given. Yields of byproduct given;

DOI:10.1055/s-1981-29655

upstream raw materials:

2,3,3-trimethylindoleniune

1,3,3-Trimethyl-2-methyleneindoline

1,2,3,3-tetramethylindoline

4,4-Dimethyl-5-methylen-2-oxo-1-phenyl-1,3-oxazolidin

Downstream raw materials:

2,3,3-trimethylindoleniune

2,3,3-Trimethyl-2,3-dihydro-indole-1-carbonyl chloride

2,3,3-trimethyl-1-phenacylindoline

6-nitro-N-(3-nitrobenzyl)-2,3,3-trimethyldihydroindole