9-Anthracenylmethyl methyl sulfide

Base Information

• Chemical Name: 9-Anthracenylmethyl methyl sulfide
• CAS No.: 61574-53-6
• Molecular Formula: C16H14S
• Molecular Weight: 238.353
• Hs Code.: 2930909090
• European Community (EC) Number: 666-142-6
• DSSTox Substance ID: DTXSID70390622
• Nikkaji Number: J1.135.594C
• Wikidata: Q82187519
• Mol file: 61574-53-6.mol

Synonyms:9-anthracenylmethyl methyl sulfide;61574-53-6;BIDD:GT0672;9-(Methylthiomethyl)anthracene;SCHEMBL5919517;DTXSID70390622;AKOS024336512;9-[(METHYLSULFANYL)METHYL]ANTHRACENE

Chemical Property of 9-Anthracenylmethyl methyl sulfide

Chemical Property:

• Vapor Pressure: 1.22E-06mmHg at 25°C
• Melting Point: 112-114 °C
• Refractive Index: 1.705
• Boiling Point: 412.6°C at 760 mmHg
• Flash Point: 201.7°C
• PSA: 25.30000
• Density: 1.165g/cm³
• LogP: 4.85600
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.08162162
• Heavy Atom Count: 17
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSCC1=C2C=CC=CC2=CC3=CC=CC=C31

Technology Process of 9-Anthracenylmethyl methyl sulfide

There total 3 articles about 9-Anthracenylmethyl methyl sulfide 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: 88.0%

C27H25N3O3 + sodium thiomethoxide (5188-07-8) → C12H14N3O3(1-)*Na(1+) + (anthracen-9-yl)methyl methyl sulfide (61574-53-6)

Guidance literature:

In DMF (N,N-dimethyl-formamide); for 1h;

Reference yield:

9-(mercaptomethyl)anthracene (72898-42-1) + methyl iodide (74-88-4) → (anthracen-9-yl)methyl methyl sulfide (61574-53-6)

Guidance literature:

With sodium ethanolate; Yield given. Multistep reaction; 1.) EtOH, 1 h, 2.) EtOH, 1 h;

DOI:10.1021/ja00036a048

Reference yield:

methylthiol (74-93-1) + anthracenylmethyl chloride (24463-19-2) → (anthracen-9-yl)methyl methyl sulfide (61574-53-6)

Guidance literature:

With sodium hydride; Yield given; Multistep reaction; 1.) THF, 15 min, 2.) 3 h;

DOI:10.1021/jo981105b

upstream raw materials:

9-(mercaptomethyl)anthracene

methyl iodide

methylthiol

anthracenylmethyl chloride

Downstream raw materials:

9,10-dihydro-10-methylene-α-phenyl-9-anthracenemethanol

2-(9-anthryl)-1-phenylethanol

9,10-dimethylanthracene

1,2,4,5-tetrabenzoylbenzene