N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide

Base Information

• Chemical Name: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide
• CAS No.: 1246525-60-9
• Molecular Formula: C17H10F9NO2
• Molecular Weight: 431.258
• ChEMBL ID: CHEMBL3094387
• DSSTox Substance ID: DTXSID30591895
• Wikidata: Q82485761
• Mol file: 1246525-60-9.mol

Synonyms:N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide;SR 1078;SR-1078;SR1078

Chemical Property of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide

Chemical Property:

• Melting Point: 169℃
• Boiling Point: 362.9±42.0 °C(Predicted)
• PKA: 9.21±0.15(Predicted)
• PSA: 52.82000
• Density: 1.527±0.06 g/cm3(Predicted)
• LogP: 5.65390
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO, Methanol (Slightly)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 431.05678202
• Heavy Atom Count: 29
• Complexity: 555

Purity/Quality:

99% ^*data from raw suppliers

SR1078 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
• Uses: SR 1078 is a selective agonist of RORα and RORγ that stimulates ROR transcriptional activity in HEK293 cell reporter assays.

Technology Process of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide

There total 1 articles about N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide 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: 71.0%

2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol (722-92-9) + 4-trifluoromethyl-phenyl acetyl chloride (329-15-7) → SR1078 (1246525-60-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere;

upstream raw materials:

2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

4-trifluoromethyl-phenyl acetyl chloride

Refernces

• 1、 -. "MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS". Page/Page column 5; 87; 88. . Retrieved 2011/10/10.