S-Phenyl 2-naphthalenethiocarboxylate

Base Information

• Chemical Name: S-Phenyl 2-naphthalenethiocarboxylate
• CAS No.: 28118-49-2
• Molecular Formula: C17H12 O S
• Molecular Weight: 264.34
• DSSTox Substance ID: DTXSID80182393
• Nikkaji Number: J42.446C
• Wikidata: Q83053067
• Mol file: 28118-49-2.mol

Synonyms:S-Phenyl 2-naphthalenethiocarboxylate;28118-49-2;2-NAPHTHOIC ACID, S-PHENYL ESTER;2-Naphthalenecarboxylic acid, thio-, S-phenyl ester;S-phenyl naphthalene-2-carbothioate;C16H12OS;DTXSID80182393;C16-H12-O-S;2-Naphthoic acid, thio-, S-phenyl ester;LS-95390;2-Naphthalene(thiocarboxylic acid)S-phenyl ester

Chemical Property of S-Phenyl 2-naphthalenethiocarboxylate

Chemical Property:

• Vapor Pressure: 4.64E-07mmHg at 25°C
• Boiling Point: 413.9°C at 760 mmHg
• Flash Point: 183.8°C
• Density: 1.24g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 264.06088618
• Heavy Atom Count: 19
• Complexity: 308

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC(=O)C2=CC3=CC=CC=C3C=C2

Technology Process of S-Phenyl 2-naphthalenethiocarboxylate

There total 10 articles about S-Phenyl 2-naphthalenethiocarboxylate 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: 82.0%

2-(naphthalen-2-yl)-2-oxoacetic acid (14289-45-3) + diphenyldisulfane (882-33-7) → S-phenyl naphthalene-2-carbothioate (28118-49-2)

Guidance literature:

With ammonium peroxydisulfate; copper(II) oxide; In water; dimethyl sulfoxide; at 80 ℃; for 12h;

DOI:10.1039/c4ra15751f

Reference yield: 80.0%

2-Naphthalenemethanol (1592-38-7) + thiophenol (108-98-5) → S-phenyl naphthalene-2-carbothioate (28118-49-2)

Guidance literature:

With dipotassium peroxodisulfate; tetraethylammonium bromide; In 1,2-dichloro-ethane; at 90 ℃; for 40h; Inert atmosphere;

DOI:10.1002/adsc.201300584

Reference yield: 80.0%

thiophenol (108-98-5) + β-naphthaldehyde (66-99-9) → S-phenyl naphthalene-2-carbothioate (28118-49-2)

Guidance literature:

With dipotassium peroxodisulfate; tetraethylammonium bromide; In 1,2-dichloro-ethane; at 90 ℃; for 40h; Inert atmosphere;

DOI:10.1002/adsc.201300584

upstream raw materials:

thiophenol

2-naphthaloyl chloride

2-iodonaphthalene

9-methyl-9H-fluorene-9-carbonyl chloride

Downstream raw materials:

2-naphthyl phenyl sulfide

Refernces

• 1、 Lipp, Alexander,Badir, Shorouk O.,Dykstra, Ryan,Gutierrez, Osvaldo,Molander, Gary A.. "Catalyst-Free Decarbonylative Trifluoromethylthiolation Enabled by Electron Donor-Acceptor Complex Photoactivation". . p. 3507 - 3520. Retrieved 2021/06/11.
• 2、 Liu, Chengwei,Szostak, Michal. "Decarbonylative thioetherification by nickel catalysis using air- and moisture-stable nickel precatalysts". supporting information. p. 2130 - 2133. Retrieved 2018/03/06.