4-Isopropylthioxanthone

Base Information

• Chemical Name: 4-Isopropylthioxanthone
• CAS No.: 83846-86-0
• Molecular Formula: C₁₆H₁₄OS
• Molecular Weight: 254.353
• European Community (EC) Number: 281-065-4
• UNII: PAF3CW7TJ8
• DSSTox Substance ID: DTXSID80868761
• Nikkaji Number: J326.911F
• Wikidata: Q412376
• Mol file: 83846-86-0.mol

Synonyms:2-isopropyl-9H-thioxanthen-9-one;2-ITX cpd;isopropyl-9H-thioxanthen-9-one;ITX cpd

Chemical Property of 4-Isopropylthioxanthone

Chemical Property:

• Vapor Pressure: 2.54E-06mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 391 °C at 760 mmHg
• Flash Point: 210.2 °C
• PSA: 45.31000
• Density: 1.199 g/cm³
• LogP: 4.53810
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 254.07653624
• Heavy Atom Count: 18
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropylthioxanthone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC2=C1SC3=CC=CC=C3C2=O
• Uses: 4-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.

Technology Process of 4-Isopropylthioxanthone

There total 4 articles about 4-Isopropylthioxanthone 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: 94.2%

1,3-diisopropylbenzene (99-62-7) + 4-mercapto-cumene (4946-14-9) → 4-isopropylthioxanthone (83846-86-0)

Guidance literature:

1,3-diisopropylbenzene; 4-mercapto-cumene; With sodium hydroxide; ortho-chlorobenzoic acid; at 190 ℃; for 8h;

With chlorosulfonic acid; sulfuric acid; at 60 ℃; for 1h;

Reference yield: 88.2%

Isopropylbenzene (98-82-8) + 2-chlorosulfenylbenzoyl chloride (3950-02-5) → 4-isopropylthioxanthone (83846-86-0) + 2-isopropyl-9H-thioxanthen-9-one (5495-84-1)

Guidance literature:

iron(III) chloride; In 1,2-dichloro-ethane; at 20 ℃; for 0.5h; Product distribution / selectivity;

Reference yield:

Isopropylbenzene (98-82-8) + 2,2'-dithiobenzoic acid (119-80-2) + Benzotrichlorid (98-07-7) → 4-isopropylthioxanthone (83846-86-0) + 2-isopropyl-9H-thioxanthen-9-one (5495-84-1) + 3-isopropylthioxanthone

Guidance literature:

2,2'-dithiobenzoic acid; Benzotrichlorid; With iron(III) chloride; In chlorobenzene; at 100 ℃; for 1h; Inert atmosphere;

Isopropylbenzene; With aluminum (III) chloride; In trans-1,2-dichloroethylene; at 20 ℃; for 1h; Overall yield = 32.8 g; Inert atmosphere;

upstream raw materials:

Isopropylbenzene

2-chlorosulfenylbenzoyl chloride

2,2'-dithiobenzoic acid

Benzotrichlorid