1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin

Base Information

• Chemical Name: 1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin
• CAS No.: 1160247-92-6
• Molecular Formula: C17H12F3NO4
• Molecular Weight: 351.282
• Mol file: 1160247-92-6.mol

Synonyms:1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione;

Chemical Property of 1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin

Chemical Property:

• Boiling Point: 459.7±55.0 °C(Predicted)
• PKA: -3.68±0.20(Predicted)
• PSA: 55.84000
• Density: 1.432±0.06 g/cm3(Predicted)
• LogP: 3.38830
• Storage Temp.: Store at RT
• Solubility.: DMSO: ≥20mg/mL

Purity/Quality:

99% ^*data from raw suppliers

VU 0238429 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36-50/53
• Safety Statements: 26-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: VU 0238429 is a selective positive allosteric modulator of M5 receptors.

Technology Process of 1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin

There total 1 articles about 1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin 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: 98.0%

p-methoxybenzyl chloride (824-94-2) + 5-trifluoromethoxy-1H-indole-2,3-dione (169037-23-4) → V(384)U0229 (1160247-92-6)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; at 20 ℃;

DOI:10.1021/jm900286j

Reference yield: 100.0%

nitromethane (75-52-5) + V(384)U0229 (1160247-92-6) → C18H15F3N2O6 (1432436-50-4)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In neat (no solvent);

DOI:10.1016/j.bmcl.2013.03.032

Reference yield: 81.0%

V(384)U0229 (1160247-92-6) → 3-(hydroxyimino)-1-(4-methoxybenzyl)-5-(trifluoromethoxy)indolin-2-one

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; at 20 ℃; for 18h;

DOI:10.1016/j.bbr.2018.09.019

upstream raw materials:

p-methoxybenzyl chloride

5-trifluoromethoxy-1H-indole-2,3-dione

Downstream raw materials:

C₁₈H₁₅F₃N₂O₆

C₂₂H₁₆F₄N₂O₄