5-(Trifluoromethyl)indoline

Base Information

• Chemical Name: 5-(Trifluoromethyl)indoline
• CAS No.: 162100-55-2
• Molecular Formula: C9H8F3N
• Molecular Weight: 187.164
• Hs Code.: 2933998090
• European Community (EC) Number: 857-418-9
• DSSTox Substance ID: DTXSID80572876
• Nikkaji Number: J1.318.651K
• Wikidata: Q72512069
• Mol file: 162100-55-2.mol

Synonyms:5-(Trifluoromethyl)indoline;162100-55-2;5-Trifluoromethylindoline;5-(trifluoromethyl)-2,3-dihydro-1H-indole;1H-Indole, 2,3-dihydro-5-(trifluoromethyl)-;MFCD03095322;5-trifluoromethyl-2,3-dihydro-1h-indole;5-(Trifluoromethyl)-indoline;5Trifluoromethylindoline;SCHEMBL4991137;DTXSID80572876;AMY11619;SC5079;AKOS009133035;CS-W018757;GS-3405;SB34064;AC-22696;SY111382;A3601;EN300-392734;Q-102588

Chemical Property of 5-(Trifluoromethyl)indoline

Chemical Property:

• Vapor Pressure: 0.145mmHg at 25°C
• Refractive Index: 1.481
• Boiling Point: 215.8 °C at 760 mmHg
• Flash Point: 84.3 °C
• PSA: 12.03000
• Density: 1.264 g/cm³
• LogP: 2.81140
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 187.06088375
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

5-(Trifluoromethyl)-2,3-dihydro-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C=C(C=C2)C(F)(F)F

Technology Process of 5-(Trifluoromethyl)indoline

There total 1 articles about 5-(Trifluoromethyl)indoline 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: 88.0%

cyano-(2-nitro-5-trifluoromethyl-phenyl)-acetic acid benzyl ester → 5-(trifluoromethyl)indoline (162100-55-2) + 5-trifluoromethyl-1H-indole (100846-24-0) + 2-(2-amino-ethyl)-4-trifluoromethyl-phenylamine

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In ethanol; water; at 25 ℃; for 18h; under 2585.74 Torr;

DOI:10.1081/SCC-120021501

Reference yield: 60.0%

4-(piperidin-1-ylmethyl)benzoyl chloride (768320-30-5) + 5-(trifluoromethyl)indoline (162100-55-2) → (4-(piperidin-1-ylmethyl)phenyl)(5-(trifluoromethyl)indolin-1-yl)methanone

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00463

Reference yield: 48.0%

5-(trifluoromethyl)indoline (162100-55-2) → 5-trifluoromethyl-1H-indole (100846-24-0)

Guidance literature:

With 2C₁₆H₃₅N*I₄Pb^(2-)*2H⁽¹⁺⁾; oxygen; In dichloromethane; for 14h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/anie.201812225

Downstream raw materials:

C₂₂H₁₅F₆N₃O₂

5-trifluoromethyl-1H-indole

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