2-hydroxy-9H-thioxanthen-9-one

Base Information

• Chemical Name: 2-hydroxy-9H-thioxanthen-9-one
• CAS No.: 31696-67-0
• Molecular Formula: C13H8O2S
• Molecular Weight: 228.271
• European Community (EC) Number: 815-134-2
• Nikkaji Number: J1.013.659H
• Mol file: 31696-67-0.mol

Synonyms:2-hydroxy-9H-thioxanthen-9-one;31696-67-0;2-hydroxythioxanthen-9-one;2-Hydroxy-thioxanthone;9H-Thioxanthen-9-one, 2-hydroxy-;2-hydroxythioxanthone;2-hydroxy-thioxanthen-9-on;SCHEMBL44047;2-Hydroxy-9H-thioxanthene-9-one;ANHLDZMOXDYFMQ-UHFFFAOYSA-N;MFCD02068912;AS-61054;F18217;EN300-6482807

Chemical Property of 2-hydroxy-9H-thioxanthen-9-one

Chemical Property:

• Melting Point: 248 - 250 °C
• Boiling Point: 424.5±34.0 °C(Predicted)
• PKA: 8.75±0.20(Predicted)
• PSA: 65.54000
• Density: 1.422
• LogP: 3.12030
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 228.02450067
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Hydroxy-9H-thioxanthen-9-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)O
• Uses: 2-Hydroxy-9H-thioxanthen-9-one is used in the preparation of polyester-type polymeric thioxanthone photoinitiator.

Technology Process of 2-hydroxy-9H-thioxanthen-9-one

There total 7 articles about 2-hydroxy-9H-thioxanthen-9-one 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: 98.0%

2-Chlorothioxanthone (86-39-5) → 2-hydroxy thioxanthone (31696-67-0)

Guidance literature:

With t-BuBrettPhos; C₄₄H₆₂NO₅PPdS; water; potassium hydroxide; In 1,4-dioxane; at 80 ℃; for 18h; Inert atmosphere;

DOI:10.1021/jo500662s

Reference yield: 70.0%

Thiosalicylic acid (147-93-3) + hydroquinone (123-31-9,8027-02-9) → 2-hydroxy thioxanthone (31696-67-0) + 1,4-dihydroxy-9H-thioxanthen-9-one (14992-80-4)

Guidance literature:

With aluminum oxide; methanesulfonic acid; at 110 ℃; for 0.333333h;

DOI:10.1055/s-2004-831253

Reference yield: 63.0%

Thiosalicylic acid (147-93-3) + phenol (108-95-2,27073-41-2) → 2-hydroxy thioxanthone (31696-67-0)

Guidance literature:

Thiosalicylic acid; With sulfuric acid;

phenol; at 60 - 80 ℃; for 2.5h;

With water; for 0.0833333h; Reflux;

upstream raw materials:

2-[(4-hydroxyphenyl)sulfanyl]benzoic acid

Thiosalicylic acid

phenol

hydroquinone

Downstream raw materials:

C₂₀H₁₂O₃S

2-[2-(2-{2-[(9-oxo-9H-thioxanthen-2-yl)oxy]ethoxy}ethoxy)ethoxy]-9H-thioxanthen-9-one

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

2-methoxy-9H-thioxanthen-9-one

Refernces

• 1、 -. "PHOTOSTABLE MIMICS OF MACULAR PIGMENT". Page/Page column 46. . Retrieved 2021/01/23.
• 2、 -. "Thioxanthone compound crystal having room temperature phosphorescent property and preparation method and use thereof". Paragraph 0062; 0064. . Retrieved 2018/07/30.