7-ethyl-2,3-dihydro-1H-indole

Base Information

• Chemical Name: 7-ethyl-2,3-dihydro-1H-indole
• CAS No.: 196303-47-6
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• European Community (EC) Number: 872-164-9
• Mol file: 196303-47-6.mol

Synonyms:7-ethyl-2,3-dihydro-1H-indole;196303-47-6;7-ethylindoline;1H-INDOLE,7-ETHYL-2,3-DIHYDRO-;7-ETHYLINDOLE(Etodolac intermediate);3-dihydro-7 -ethy lindole;SCHEMBL1426234;FTHXMWFBMSQKEA-UHFFFAOYSA-N;MFCD09029504;AKOS009133093;MCULE-6008364094;AC-16745;SY182714;CS-0252378;EN300-59998;Z259726232

Chemical Property of 7-ethyl-2,3-dihydro-1H-indole

Chemical Property:

• Boiling Point: 252.8±25.0 °C(Predicted)
• PKA: 5.01±0.20(Predicted)
• Density: 0.998±0.06 g/cm3(Predicted)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=CC2=C1NCC2

Technology Process of 7-ethyl-2,3-dihydro-1H-indole

There total 1 articles about 7-ethyl-2,3-dihydro-1H-indole 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: 75.0%

7-ethyl-1H-indole (22867-74-9) → 7-Ethylindoline (196303-47-6)

Guidance literature:

With platinum/carbon xerogel catalyst; hydrogen; toluene-4-sulfonic acid; In water; at 25 ℃; for 3h; under 37503.8 Torr; regioselective reaction;

DOI:10.1021/ol2019899

Reference yield:

methyl 4-{2-[5-bromo-6-(bromomethyl)-2-oxopyridin-1(2H)-yl]ethyl}benzoate (1091600-29-1) + 7-Ethylindoline (196303-47-6) → 4-(2-{5-bromo-6-[(7-ethyl-2,3-dihydro-1H-indol-1-yl)methyl]-2-oxopyridin-1(2H)-yl}ethyl)benzoic acid

Guidance literature:

Multi-step reaction with 2 steps

1: 1-methyl-pyrrolidin-2-one / 0.17 h / 140 °C / Irradiation with microwave

2: hydrogenchloride; water / 1,4-dioxane / Inert atmosphere; Heating; Reflux

With hydrogenchloride; water; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one;

upstream raw materials:

7-ethyl-1H-indole

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