N-(trifluoromethylthio)phthalimide

Base Information

• Chemical Name: N-(trifluoromethylthio)phthalimide
• CAS No.: 719-98-2
• Molecular Formula: C₉H₄F₃NO₂S
• Molecular Weight: 247.197
• Hs Code.: 29309090
• European Community (EC) Number: 808-179-4
• Nikkaji Number: J1.404.125G
• Mol file: 719-98-2.mol

Synonyms:N-(trifluoromethylthio)phthalimide

Chemical Property of N-(trifluoromethylthio)phthalimide

Chemical Property:

• Melting Point: 111.0 to 115.0 °C
• Boiling Point: 253.4±50.0 °C(Predicted)
• PKA: -3.47±0.20(Predicted)
• Density: 1.63±0.1 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 246.99148403
• Heavy Atom Count: 16
• Complexity: 307

Purity/Quality:

98% ^*data from raw suppliers

N-(Trifluoromethylthio)phthalimide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F
• Uses: N-(三氟甲硫基)邻苯二甲酰亚胺用作研究用化合物。

Technology Process of N-(trifluoromethylthio)phthalimide

There total 14 articles about N-(trifluoromethylthio)phthalimide 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%

N-bromophthalimide (2439-85-2) + silver(I) trifluoromethanethiolate (811-68-7) → N-((trifluoromethyl)thio)isoindoline-1,3-dione (719-98-2)

Guidance literature:

In acetonitrile; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.3762/BJOC.17.49

Reference yield: 90.0%

N-chlorophthalimide (3481-09-2) + Copper(I) trifluoromethanethiolate (3872-23-9) → N-((trifluoromethyl)thio)isoindoline-1,3-dione (719-98-2)

Guidance literature:

In acetonitrile; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201307484

Reference yield: 89.0%

N-chlorophthalimide (3481-09-2) + silver(I) trifluoromethanethiolate (811-68-7) → N-((trifluoromethyl)thio)isoindoline-1,3-dione (719-98-2)

Guidance literature:

In acetonitrile; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.cattod.2017.09.013

upstream raw materials:

Trifluoromethylsulfenyl chloride

potassium phtalimide

N-chlorophthalimide

Copper(I) trifluoromethanethiolate

Downstream raw materials:

cyclopentanone

cyclohexanone

1-pentafluorosulfanyl-4-(trifluoromethylthio)ethynylbenzene

1-trifluoromethylthio-4-methoxy-3,5-di-tert-butylbenzene