2-methyl-6-(trifluoromethoxy)-1H-indole

Base Information

• Chemical Name: 2-methyl-6-(trifluoromethoxy)-1H-indole
• CAS No.: 57330-49-1
• Molecular Formula: C10H8F3NO
• Molecular Weight: 215.175
• European Community (EC) Number: 637-349-9
• DSSTox Substance ID: DTXSID30479386
• Wikidata: Q82313387
• Mol file: 57330-49-1.mol

Synonyms:2-methyl-6-(trifluoromethoxy)-1H-indole;57330-49-1;2-METHYL-6-TRIFLUOROMETHOXY-1H-INDOLE;SCHEMBL2904269;DTXSID30479386;RRLOHUDUPRNMML-UHFFFAOYSA-N;MFCD11111712;AKOS015842619;SB37736;2-Methyl-6-(trifluoromethoxy)1H-indole;AS-39085;CS-0080633;FT-0761962

Chemical Property of 2-methyl-6-(trifluoromethoxy)-1H-indole

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Boiling Point: 263.6oC at 760 mmHg
• Flash Point: 113.2oC
• PSA: 25.02000
• Density: 1.357g/cm3
• LogP: 3.37490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.05579836
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-6-(trifluoromethoxy)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(N1)C=C(C=C2)OC(F)(F)F

Technology Process of 2-methyl-6-(trifluoromethoxy)-1H-indole

There total 9 articles about 2-methyl-6-(trifluoromethoxy)-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: 93.0%

1-[2-nitro-4-(trifluoromethoxy)phenyl]acetone (57330-59-3) → 2-methyl-6-(trifluoromethoxy)-1H-indole (57330-49-1)

Guidance literature:

With 5% Pd(II)/C(eggshell); hydrogen; at 0 - 60 ℃; for 7h; under 3102.97 Torr; Large scale reaction;

DOI:10.1021/op8002882

Reference yield: 84.0%

2-nitro-1-[(1E)-prop-1-en-1-yl]-4-(trifluoromethoxy)benzene → 2-methyl-6-(trifluoromethoxy)-1H-indole (57330-49-1)

Guidance literature:

With 3,4,7,8-Tetramethyl-o-phenanthrolin; carbon monoxide; palladium(II) trifluoroacetate; In N,N-dimethyl-formamide; at 80 ℃; for 16h; under 775.722 Torr;

DOI:10.1016/j.tet.2005.03.142

Reference yield: 74.0%

C12H7F6NO2 (1139688-65-5) → 2-methyl-6-(trifluoromethoxy)-1H-indole (57330-49-1)

Guidance literature:

With triethylamine;

DOI:10.1021/op8002882

upstream raw materials:

methylsulfanyl-acetone

m-trifluoromethoxyaniline

2-[[2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]thio]benzoic acid

C₁₂H₇F₆NO₂

Downstream raw materials:

(4-methoxy-phenyl)-(2-methyl-6-trifluoromethoxy-1H-indol-3-yl)-methanone

1-(3-methoxyphenyl)-2-methyl-6-(trifluoromethoxy)-1H-indole

(4-chlorophenyl)[2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]methanone

[2-(allyloxy)-4-methoxyphenyl][2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]methanone

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