2H-Isoindole-2-propanethiol, 1,3-dihydro-1,3-dioxo-

Base Information

• Chemical Name: 2H-Isoindole-2-propanethiol, 1,3-dihydro-1,3-dioxo-
• CAS No.: 39801-32-6
• Molecular Formula: C11H11NO2S
• Molecular Weight: 221.28
• DSSTox Substance ID: DTXSID80192876
• Nikkaji Number: J178.446C
• Wikidata: Q83065551
• Mol file: 39801-32-6.mol

Synonyms:2-propylsulfanylisoindole-1,3-dione;Phthaloyl MPA;2H-ISOINDOLE-2-PROPANETHIOL, 1,3-DIHYDRO-1,3-DIOXO-;3-Mercaptopropylphthalimide;BRN 0158501;1,3-Dihydro-1,3-dioxo-2H-isoindole-2-propanethiol;N-(Propylthio)phthalimide;SCHEMBL10335606;DTXSID80192876;AKOS015898411;LS-84680

Chemical Property of 2H-Isoindole-2-propanethiol, 1,3-dihydro-1,3-dioxo-

Chemical Property:

• Vapor Pressure: 1.48E-05mmHg at 25°C
• Boiling Point: 366.3°Cat760mmHg
• Flash Point: 175.3°C
• PSA: 62.68000
• Density: 1.31g/cm³
• LogP: 2.27870
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.05104977
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

99%, ^*data from raw suppliers

2-(3-Sulfanylpropyl)-2,3-dihydro-1H-isoindole-1,3-dione 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSN1C(=O)C2=CC=CC=C2C1=O

Technology Process of 2H-Isoindole-2-propanethiol, 1,3-dihydro-1,3-dioxo-

There total 11 articles about 2H-Isoindole-2-propanethiol, 1,3-dihydro-1,3-dioxo- 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: 100.0%

2-(3-bromopropyl)isoindole-1,3-dione (5460-29-7) → 2-(3-mercaptopropyl)isoindoline-1,3-dione (39801-32-6)

Guidance literature:

With trisodium thiophosphate; In N,N-dimethyl-formamide; for 5h;

DOI:10.1016/S0040-4039(00)77459-4

Reference yield: 84.0%

S-[3-(1,3-dioxoisoindolin-2-yl)propyl] ethanethioate (221218-66-2) → 2-(3-mercaptopropyl)isoindoline-1,3-dione (39801-32-6)

Guidance literature:

With hydrogenchloride; In methanol; water; for 5h; Inert atmosphere; Reflux;

DOI:10.1039/c8cc04467h

Reference yield: 75.0%

(3-phthalimidopropyl)isothiuronium hydrobromide (63344-94-5) → 2-(3-mercaptopropyl)isoindoline-1,3-dione (39801-32-6)

Guidance literature:

With N,N-dimethylethylenediamine; In 1,4-dioxane; at 80 ℃; for 4h;

DOI:10.1021/jm00167a014

upstream raw materials:

2-(3-bromopropyl)isoindole-1,3-dione

(3-phthalimidopropyl)isothiuronium hydrobromide

S-[3-(1,3-dioxoisoindolin-2-yl)propyl] ethanethioate

potassium phtalimide

Downstream raw materials:

N-(3-diphenylmethylthio)-3-phthalyl propyl amide

mercapto-3 propylamine

benzene-1,2-dicarboxylic acid

2-<3-(Benzylthio)propyl>-1H-isoindole-1,3(2H)-dione