2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethan-1-one

Base Information

• Chemical Name: 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethan-1-one
• CAS No.: 131172-58-2
• Molecular Formula: C10H10F3NO
• Molecular Weight: 217.1877096
• DSSTox Substance ID: DTXSID80561740
• Nikkaji Number: J2.996.512I
• Wikidata: Q82445599
• Mol file: 131172-58-2.mol

Synonyms:131172-58-2;2,2,2-Trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone;2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethan-1-one;Ethanone, 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)- (9CI);DTXSID80561740;AKOS002300535;4,5,6,7-tetrahydro-2-trifluoroacetylindole;CS-0304134;VU0613501-1;EN300-1938610;F3379-0313;Z432102190

Chemical Property of 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethan-1-one

Chemical Property:

• PSA: 32.86000
• LogP: 2.63850
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 217.07144843
• Heavy Atom Count: 15
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-TRIFLUORO-1-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YL)-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=C(N2)C(=O)C(F)(F)F

Technology Process of 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethan-1-one

There total 4 articles about 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethan-1-one 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: 83.0%

4,5,6,7-tetrahydro-2-(trifluoroacetyl)-1-vinylindole (65541-69-7) → 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone (131172-58-2)

Guidance literature:

With potassium hydroxide; In acetonitrile; for 5h; Heating;

DOI:10.1007/BF00487424

Reference yield: 78.0%

4,5,6,7-tetrahydroindole (13618-91-2) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone (131172-58-2)

Guidance literature:

With pyridine; In diethyl ether;

DOI:10.1016/j.jfluchem.2020.109455

Reference yield: 65.0%

2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanol (1334583-78-6) → 2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanone (131172-58-2)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; at 20 ℃; for 8h;

DOI:10.1016/j.tetlet.2011.07.071

upstream raw materials:

4,5,6,7-tetrahydro-2-(trifluoroacetyl)-1-vinylindole

4,5,6,7-tetrahydroindole

2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethanol

trifluoroacetic anhydride

Downstream raw materials:

4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid

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