2-Phenyl-1-isoindolinethione

Base Information

• Chemical Name: 2-Phenyl-1-isoindolinethione
• CAS No.: 89313-76-8
• Molecular Formula: C14H11NS
• Molecular Weight: 225.30900
• DSSTox Substance ID: DTXSID70356703
• Nikkaji Number: J479.030H
• Wikidata: Q82136233
• ChEMBL ID: CHEMBL1530714
• Mol file: 89313-76-8.mol

Synonyms:2-phenyl-1-isoindolinethione;89313-76-8;2-phenyl-3H-isoindole-1-thione;MLS000699523;CHEMBL1530714;DTXSID70356703;HMS2550M15;STK973413;SMR000225264;2-phenyl-2,3-dihydro-1H-isoindole-1-thione;AF-399/32018058

Chemical Property of 2-Phenyl-1-isoindolinethione

Chemical Property:

• PSA: 35.33000
• LogP: 3.44730
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.06122053
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=S)N1C3=CC=CC=C3

Technology Process of 2-Phenyl-1-isoindolinethione

There total 10 articles about 2-Phenyl-1-isoindolinethione 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: 72.0%

2-phenylisoindoline (19375-67-8) → 2-phenylisoindoline-1-thione (89313-76-8)

Guidance literature:

With sulfur; at 90 ℃; for 12h; Inert atmosphere; Green chemistry;

DOI:10.1039/d0gc03832f

Reference yield: 64.0%

3-hydroxy-2-phenylisoindolin-1-one (18167-15-2) → 2-phenylisoindoline-1-thione (89313-76-8)

Guidance literature:

With Lawessons reagent; In toluene; for 0.166667h; Heating;

DOI:10.1055/s-1989-27264

Reference yield: 53.0%

N-phenylphthalimidine (5388-42-1) → 2-phenylisoindoline-1-thione (89313-76-8)

Guidance literature:

With pyridine; diphosphorus pentasulfide; at 140 - 150 ℃;

DOI:10.1007/BF00506392

upstream raw materials:

N-phenylphthalimidine

3-hydroxy-2-phenylisoindolin-1-one

(±)-3-(phenylamino)isobenzofuran-1(3H)-one

3-Bromophthalide

Downstream raw materials:

10,11,11-Trimethyl-12-phenyl-9-thia-12-aza-tricyclo[6.3.1.0^2,7]dodeca-2,4,6-triene

10,10,11,11-Tetramethyl-12-phenyl-9-thia-12-aza-tricyclo[6.3.1.0^2,7]dodeca-2,4,6-triene

(1R,8R,11R)-11-Methyl-12-phenyl-9-thia-12-aza-tricyclo[6.3.1.0^2,7]dodeca-2,4,6-triene-11-carboxylic acid methyl ester

(1R,8R,11S)-11-Methyl-12-phenyl-9-thia-12-aza-tricyclo[6.3.1.0^2,7]dodeca-2,4,6-triene-11-carboxylic acid methyl ester