3-Ethyl-1H-indene

Base Information

• Chemical Name: 3-Ethyl-1H-indene
• CAS No.: 2294-91-9
• Molecular Formula: C11H12
• Molecular Weight: 144.21
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID00491530
• Nikkaji Number: J1.089.852H
• Wikidata: Q82336211
• Mol file: 2294-91-9.mol

Synonyms:3-Ethyl-1H-indene;2294-91-9;3-ETHYLINDENE;DTXSID00491530;AKOS006273531

Chemical Property of 3-Ethyl-1H-indene

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 225.189°C at 760 mmHg
• Flash Point: 83.641°C
• PSA: 0.00000
• Density: 0.978g/cm³
• LogP: 3.03610
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 144.093900383
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CCC2=CC=CC=C21

Technology Process of 3-Ethyl-1H-indene

There total 26 articles about 3-Ethyl-1H-indene 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: 91.0%

ethylmagnesium bromide (925-90-6) + 1H-inden-3-yl trifluoromethanesulfonate (150970-45-9) → 3-ethyl-1H-indene (2294-91-9)

Guidance literature:

1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In tetrahydrofuran; benzene; for 0.333333h; Ambient temperature;

DOI:10.1016/S0040-4039(99)00439-6

Reference yield: 89.0%

ethylmagnesium bromide (925-90-6) + inden-1-one (83-33-0) → 3-ethyl-1H-indene (2294-91-9)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 3.25h; Inert atmosphere;

DOI:10.1002/chem.201404139

Reference yield:

ethyl iodide (75-03-6) + 1-indene (95-13-6) → 1-ethyl-1H-indene (6953-66-8) + 3-ethyl-1H-indene (2294-91-9)

Guidance literature:

1-indene; With n-butyllithium; In diethyl ether; hexane; pentane;

ethyl iodide; In diethyl ether; at -10 - 20 ℃; Cooling with acetone-dry ice;

upstream raw materials:

ethyl bromide

3H-indene-1-carboxylic acid

1-ethyl-2,3-dihydro-1H-inden-1-ol

ethyl iodide

Downstream raw materials:

2-(α-Oxo-propyl)-phenylessigsaeure

ethyl (2-propionylphenyl)acetate

Refernces

• 1、 Yan, Jun,Nie, Yu,Gao, Feng,Yuan, Qianjia,Xie, Fang,Zhang, Wanbin. "Ir-catalyzed asymmetric hydrogenation of 3-arylindenones for the synthesis of chiral 3-arylindanones". supporting information. . Retrieved 2021/02/27.
• 2、 Michelet, Bastien,Bour, Christophe,Gandon, Vincent. "Gallium-assisted transfer hydrogenation of alkenes". supporting information. p. 14488 - 14492. Retrieved 2015/04/16.