1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]-

Base Information

• Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]-
• CAS No.: 14204-31-0
• Molecular Formula: C14H8ClNO2S
• Molecular Weight: 289.742
• DSSTox Substance ID: DTXSID20355887
• Nikkaji Number: J1.144.824K
• Wikidata: Q82134964
• Mol file: 14204-31-0.mol

Synonyms:14204-31-0;1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]-;2-(4-chlorophenyl)sulfanylisoindole-1,3-dione;SCHEMBL5372576;2-[(4-chlorophenyl)sulfanyl]-1H-isoindole-1,3(2H)-dione;DTXSID20355887;2-((4-Chlorophenyl)thio)isoindoline-1,3-dione;AE-641/00594061;2-(4-Chlorophenylsulfanyl)isoindole-1,3-(2H)-dione

Chemical Property of 1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]-

Chemical Property:

• PSA: 62.68000
• LogP: 3.58120
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 288.9964274
• Heavy Atom Count: 19
• Complexity: 358

Purity/Quality:

99% ^*data from raw 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)SC3=CC=C(C=C3)Cl

Technology Process of 1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]-

There total 10 articles about 1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]- 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%

phthalimide (136918-14-4,85-41-6) + 4,4'-dichlorodiphenyl disulfide (1142-19-4) → 2-(4-chlorophenylthio)isoindoline-1,3-dione (14204-31-0)

Guidance literature:

With 18-crown-6 ether; potassium bromide; In acetonitrile; at 20 ℃; for 2h; Electrochemical reaction;

DOI:10.1002/ejoc.202100924

Reference yield: 92.0%

N-bromophthalimide (2439-85-2) + p-Chlorothiophenol (106-54-7) → 2-(4-chlorophenylthio)isoindoline-1,3-dione (14204-31-0)

Guidance literature:

With 18-crown-6 ether; potassium bromide; In acetonitrile; at 20 ℃; for 2h; Electrochemical reaction;

DOI:10.1002/ejoc.202100924

Reference yield: 88.0%

phthalimide (136918-14-4,85-41-6) + p-Chlorothiophenol (106-54-7) → 2-(4-chlorophenylthio)isoindoline-1,3-dione (14204-31-0)

Guidance literature:

With 18-crown-6 ether; potassium bromide; In acetonitrile; at 20 ℃; for 2h; Solvent; Kinetics; Electrochemical reaction;

DOI:10.1002/ejoc.202100924

upstream raw materials:

4,4'-dichlorophenyl thiosulfonate

phthalimide

p-Chlorothiophenol

2,2'-disulfanediylbis(isoindoline-1,3-dione)

Downstream raw materials:

C₆₅H₆₀ClN₈O₁₄PS

4-Oxo-pentanoic acid (2R,3S,5R)-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2-[[(2R,3S,5R)-5-(6-benzoylamino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-yloxy]-(4-chloro-phenylsulfanyl)-phosphoryloxymethyl]-tetrahydro-furan-3-yl ester

ethyl 2-(4-chlorophenylthio)-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate

3-((4-chlorophenyl)thio)-1H-indole