9H-Thioxanthen-9-one, 2-methyl-

Base Information

• Chemical Name: 9H-Thioxanthen-9-one, 2-methyl-
• CAS No.: 15774-82-0
• Molecular Formula: C14H10 O S
• Molecular Weight: 226.299
• Hs Code.: 2932999099
• European Community (EC) Number: 239-871-9
• NSC Number: 263518
• UNII: 3ESH5OH7V2
• DSSTox Substance ID: DTXSID0065937
• Nikkaji Number: J248.763B
• Wikidata: Q81992531
• Mol file: 15774-82-0.mol

Synonyms:2-METHYL-9H-THIOXANTHEN-9-ONE;2-Methylthioxanthone;15774-82-0;9H-Thioxanthen-9-one, 2-methyl-;2-Methylthiaxanthone;2-Methylthioxanthen-9-one;Thioxanthen-9-one, 2-methyl-;2-methyl-thioxanthen-9-one;3ESH5OH7V2;EINECS 239-871-9;NSC 263518;NSC-263518;NSC263518;NISSO CURE MTX;UNII-3ESH5OH7V2;2-methyl-9-oxothioxanthene;SCHEMBL82771;DTXSID0065937;2-Methyl-9H-thioxanthen-9-one #;CS-0081178

Chemical Property of 9H-Thioxanthen-9-one, 2-methyl-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 123 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 339.477°C at 760 mmHg
• Flash Point: 155.361°C
• PSA: 45.31000
• Density: 1.168g/cm³
• LogP: 3.72310
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 226.04523611
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

Technology Process of 9H-Thioxanthen-9-one, 2-methyl-

There total 20 articles about 9H-Thioxanthen-9-one, 2-methyl- 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: 92.0%

2-(4'-methylphenylsulfanyl)benzoic acid (15774-73-9) → 2-methyl-9H-thioxanthen-9-one (15774-82-0)

Guidance literature:

With sulfuric acid; at 100 ℃; for 1h;

DOI:10.1002/anie.202109519

Reference yield: 69.0%

o-formylphenyl (p-tolyl) sulfide (62351-50-2) → 2-methyl-9H-thioxanthen-9-one (15774-82-0)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutylammomium bromide; In water; at 120 ℃; for 24h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/adsc.201300488

Reference yield: 48.0%

2-Chlorothioxanthone (86-39-5) + trimethyl orthoformate (149-73-5) → 2-methyl-9H-thioxanthen-9-one (15774-82-0)

Guidance literature:

With potassium phosphate; [nickel(II)dichloride(dimethoxyethane)]; [4,4'-bis(1,1-dimethylethyl)-2,2'-bipyridine-N¹,N¹]bis-{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; at 20 ℃; for 72h; Irradiation; Sealed tube;

DOI:10.1021/jacs.0c02805

upstream raw materials:

2-(4'-methylphenylsulfanyl)benzoic acid

N-Methoxy-2-p-tolylsulfanyl-benzamide

Thiosalicylic acid

toluene

Downstream raw materials:

N-(2-Methyl-9H-thioxanthen-9-yl) benzyl carbamate

2-bromomethyl-9H-thioxanthene-9-one

Refernces

• 1、 Schmidt, Tanno A.,Sparr, Christof. "Catalyst-Controlled Stereoselective Barton–Kellogg Olefination". supporting information. p. 23911 - 23916. Retrieved 2021/10/08.
• 2、 -. "PHOTOBASE GENERATOR". Paragraph 0137; 0139; 0140. . Retrieved 2017/01/31.