Benzeneethanethioic acid, S-2-pyridinyl ester

Base Information

• Chemical Name: Benzeneethanethioic acid, S-2-pyridinyl ester
• CAS No.: 61049-78-3
• Molecular Formula: C13H11NOS
• Molecular Weight: 229.302
• DSSTox Substance ID: DTXSID30462677
• Nikkaji Number: J1.897.562I
• Wikidata: Q82287244
• Mol file: 61049-78-3.mol

Synonyms:Benzeneethanethioic acid, S-2-pyridinyl ester;61049-78-3;DTXSID30462677

Chemical Property of Benzeneethanethioic acid, S-2-pyridinyl ester

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 229.05613515
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)SC2=CC=CC=N2

Technology Process of Benzeneethanethioic acid, S-2-pyridinyl ester

There total 1 articles about Benzeneethanethioic acid, S-2-pyridinyl ester 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:

→ S-pyridin-2-yl 2-phenylethanethioate (61049-78-3)

Guidance literature:

2-Fluor-1-methylpyridinium-p-toluolsulfonat, Phenylessigsaeure, 2-Mercaptopyridin;

DOI:10.1246/cl.1976.741

Reference yield: 89.0%

S-pyridin-2-yl 2-phenylethanethioate (61049-78-3) + lithium di-n-butylcuprate (24406-16-4) → butyl phenylacetate (122-43-0)

Guidance literature:

With oxygen; In diethyl ether; for 3h; -78 deg C to r.t.;

DOI:10.1039/c39810001231

Reference yield: 87.0%

S-pyridin-2-yl 2-phenylethanethioate (61049-78-3) + lithium di-n-butylcuprate (24406-16-4) → 1-phenyl-2-hexanone (25870-62-6)

Guidance literature:

With nitrogen; In diethyl ether; -78 deg C to r.t.;

DOI:10.1039/c39810001231

Downstream raw materials:

1-phenyl-2-hexanone

butyl phenylacetate

2,3,4,6-tetra-O-acetyl-1-N-phenyl acetyl-β-D-glucopyranosylamine