2-Methyl-1-(phenylsulfanyl)naphthalene

Base Information

• Chemical Name: 2-Methyl-1-(phenylsulfanyl)naphthalene
• CAS No.: 93322-81-7
• Molecular Formula: C17H14S
• Molecular Weight: 250.364
• DSSTox Substance ID: DTXSID40576375
• Wikidata: Q82466036
• Mol file: 93322-81-7.mol

Synonyms:93322-81-7;2-Methyl-1-(phenylsulfanyl)naphthalene;DTXSID40576375

Chemical Property of 2-Methyl-1-(phenylsulfanyl)naphthalene

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 250.08162162
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C=C1)SC3=CC=CC=C3

Technology Process of 2-Methyl-1-(phenylsulfanyl)naphthalene

There total 4 articles about 2-Methyl-1-(phenylsulfanyl)naphthalene 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: 97.0%

1-bromo-2-methylnaphtalene (2586-62-1) + thiophenol (108-98-5) → 2-methyl-1-phenylsulfonylnaphthalene (93322-81-7)

Guidance literature:

With [Pd(1,3-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)(cinnamyl)Cl]; potassium tert-butylate; In 1,4-dioxane; at 110 ℃; for 12h; Glovebox; Inert atmosphere;

DOI:10.1021/jo401492n

Reference yield:

1-bromo-2-methylnaphtalene (2586-62-1) + sodium thiophenolate (930-69-8) → 2-methyl-1-phenylsulfonylnaphthalene (93322-81-7)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In butan-1-ol; for 6h; Heating;

DOI:10.1021/jo00073a028

Reference yield:

1-bromo-2-methylnaphtalene (2586-62-1) + copper(I) thiophenolate (1192-40-1) → 2-methyl-1-phenylsulfonylnaphthalene (93322-81-7)

Guidance literature:

With pyridine; quinoline;

DOI:10.1021/jo01044a029

upstream raw materials:

1-bromo-2-methylnaphtalene

sodium thiophenolate

copper(I) thiophenolate

β-naphthylmethyl phenyl ether

Downstream raw materials:

(2-Methyl-naphthyl-⁽¹⁾)-phenyl-sulfon

2-Benzyl-<1>naphthylsulfinsaeure