2-(2,3-Dihydro-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

Base Information

• Chemical Name: 2-(2,3-Dihydro-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
• CAS No.: 65797-54-8
• Molecular Formula: C₁₁H₉F₆NO
• Molecular Weight: 285.189
• DSSTox Substance ID: DTXSID101197328
• Wikidata: Q107966402
• Mol file: 65797-54-8.mol

Synonyms:65797-54-8;2-(2,3-Dihydro-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol;2-(2,3-dihydro-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;SCHEMBL11358716;DTXSID101197328;AMY20789;1,1,1,3,3,3-Hexafluoro-2-(indolin-5-yl)propan-2-ol;2,3-Dihydro-alpha,alpha-bis(trifluoromethyl)-1H-indole-5-methanol;alpha,alpha-bis(trifluoromethyl)-2,3-dihydro-1H-indole-5-methanol

Chemical Property of 2-(2,3-Dihydro-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 285.05883288
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(2,3-Dihydro-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

There total 4 articles about 2-(2,3-Dihydro-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol 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: 80.0%

1-indoline (496-15-1) + 1,1,1,3',3',3'-hexafluoro-propanol (920-66-1) → 5-(2-hydroxyhexafluoroprop-2-yl)indoline (65797-54-8)

Guidance literature:

With piperidin-1-yl benzoate; copper(II) acetate tetrahydrate; at 70 ℃; for 5h;

DOI:10.1021/acs.orglett.8b03666

Reference yield: 22.0%

1-indoline (496-15-1) + Hexafluoroacetone (684-16-2) → 5-(2-hydroxyhexafluoroprop-2-yl)indoline (65797-54-8)

Guidance literature:

In tetrachloromethane; for 6h; Heating;

DOI:10.1007/BF00962668

Reference yield:

1-benzyl-α,α-bis(trifluoromethyl)-2,3-dihydro-1H-indole-5-methanol (65797-53-7) + dibutyl ether (142-96-1) → 5-(2-hydroxyhexafluoroprop-2-yl)indoline (65797-54-8)

Guidance literature:

With hydrogenchloride; ammonium hydroxide; palladium on charcoal;

upstream raw materials:

1-indoline

Hexafluoroacetone

1-benzyl-α,α-bis(trifluoromethyl)-2,3-dihydro-1H-indole-5-methanol

dibutyl ether

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