6-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 6-(trifluoromethoxy)-1H-indole-2-carboxylic acid
• CAS No.: 923259-70-5
• Molecular Formula: C₁₀H₆F₃NO₃
• Molecular Weight: 245.158
• European Community (EC) Number: 877-753-4
• DSSTox Substance ID: DTXSID70585511
• Wikidata: Q72511398
• Mol file: 923259-70-5.mol

Synonyms:6-(trifluoromethoxy)-1H-indole-2-carboxylic acid;923259-70-5;MFCD08444864;6-(Trifluoromethoxy)indole-2-carboxylic acid;6-(Trifluoromethoxy)-1H-indole-2-carboxylicacid;SCHEMBL17310806;DTXSID70585511;FOJBKFGWDZMUCC-UHFFFAOYSA-N;AKOS008090435;FD13059;BS-14095;SY168654;EN300-29570;6-Trifluoromethoxy-1H-indole-2-carboxylic acid;A847122;J-518117;Z228588702

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

Chemical Property:

• PSA: 62.32000
• LogP: 2.76470
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 245.02997754
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

97% ^*data from raw suppliers

6-(Trifluoromethoxy)-1H-indole-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1OC(F)(F)F)NC(=C2)C(=O)O

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

There total 1 articles about 6-(trifluoromethoxy)-1H-indole-2-carboxylic acid 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: 44.0%

2-bromo-5-(trifluoromethoxy)benzenamine (887267-47-2) + 2-oxo-propionic acid (127-17-3) → 6-(trifluoromethoxy)-1H-indole-2-carboxylic acid (923259-70-5)

Guidance literature:

With potassium phosphate; bis(tri-tert-butylphosphine)palladium⁽⁰⁾; magnesium sulfate; acetic acid; In N,N-dimethyl acetamide; at 140 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1021/acsmedchemlett.7b00505

upstream raw materials:

2-bromo-5-(trifluoromethoxy)benzenamine

2-oxo-propionic acid