2,3-Dimethyl-5-(trifluoromethyl)-1H-indole

Base Information

• Chemical Name: 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole
• CAS No.: 81558-19-2
• Molecular Formula: C11H10F3N
• Molecular Weight: 213.20
• DSSTox Substance ID: DTXSID90511791
• Wikidata: Q72472279
• Mol file: 81558-19-2.mol

Synonyms:2,3-DIMETHYL-5-(TRIFLUOROMETHYL)-1H-INDOLE;81558-19-2;2,3-dimethyl-5-trifluoromethylindole;SCHEMBL16729570;DTXSID90511791;DGZNEPYFRHNSEX-UHFFFAOYSA-N;FT-0736876

Chemical Property of 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole

Chemical Property:

• Melting Point: 110-111 °C
• Boiling Point: 290.8 °C at 760 mmHg
• Flash Point: 129.7 °C
• PSA: 15.79000
• Density: 1.269 g/cm³
• LogP: 3.80350
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 213.07653381
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

98.0% ^*data from raw suppliers

2,3-Dimethyl-5-(trifluoromethyl)-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC2=C1C=C(C=C2)C(F)(F)F)C

Technology Process of 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole

There total 3 articles about 2,3-Dimethyl-5-(trifluoromethyl)-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: 20.0%

4-(trifluoromethyl)phenylhydrazine hydrochloride (2923-56-0) + butanone (78-93-3) → 2,3-dimethyl-5-trifluoromethylindole (81558-19-2)

Guidance literature:

In acetic acid; at 100 ℃; for 1h;

DOI:10.1007/BF00513286

Reference yield:

2,3-dimethylindole (91-55-4) + bis(trifluoromethyl)tellurium (55642-42-7) → 2,3-dimethyl-5-trifluoromethylindole (81558-19-2) + 2,3-dimethyl-6-trifluoromethyl-1H-indole (81558-20-5)

Guidance literature:

In N,N-dimethyl-formamide; at 140 ℃; for 60h;

Reference yield:

2-Pentanone (107-87-9) + 4-(trifluoromethyl)phenylhydrazine (368-90-1) → 2,3-dimethyl-5-trifluoromethylindole (81558-19-2)

Guidance literature:

4-(trifluoromethyl)phenylhydrazine; With acetic acid; for 0.5h;

2-Pentanone; Reflux;

DOI:10.1021/acs.orglett.6b01947

upstream raw materials:

4-(trifluoromethyl)phenylhydrazine hydrochloride

butanone

2,3-dimethylindole

bis(trifluoromethyl)tellurium

Downstream raw materials:

(2,3-dimethyl-5-(trifluoromethyl)-1H-indol-1-yl)(2-iodophenyl)methanone

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 81558-19-2 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole

Send

Send

Metric Ton KG G Pound L ML

Send

Send