1-ethynyl-4-isothiocyanatobenzene

Base Information

• Chemical Name: 1-ethynyl-4-isothiocyanatobenzene
• CAS No.: 111129-30-7
• Molecular Formula: C₉H₅NS
• Molecular Weight: 159.211
• Mol file: 111129-30-7.mol

Synonyms:1-ethynyl-4-isothiocyanatobenzene

Chemical Property of 1-ethynyl-4-isothiocyanatobenzene

Chemical Property:

Purity/Quality:

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Technology Process of 1-ethynyl-4-isothiocyanatobenzene

There total 4 articles about 1-ethynyl-4-isothiocyanatobenzene 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: 85.0%

trifluoromethane sulfonyl chloride (421-83-0) + 4-Ethynylaniline (14235-81-5) → 1-ethynyl-4-isothiocyanatobenzene (111129-30-7)

Guidance literature:

With triphenylphosphine; sodium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01634

Reference yield: 67.0%

4-Ethynylaniline (14235-81-5) + (2-bromo-2,2-difluoro-acetyl)oxysodium → 1-ethynyl-4-isothiocyanatobenzene (111129-30-7)

Guidance literature:

With sulfur; potassium phosphate; copper(l) iodide; In acetonitrile; at 100 ℃; for 12h; Schlenk technique;

DOI:10.1039/c8cc09190k

Reference yield: 41.1%

→ 1-ethynyl-4-isothiocyanatobenzene (111129-30-7)

Guidance literature:

With triethylamine; methyl chloroformate; In chloroform; at 0 - 30 ℃; for 1h;

upstream raw materials:

4-Ethynylaniline

1,1'-Thiocarbonyldiimidazole

trifluoromethane sulfonyl chloride