1,3,5-tris(mercaptomethyl)benzene

Base Information

• Chemical Name: 1,3,5-tris(mercaptomethyl)benzene
• CAS No.: 38460-57-0
• Molecular Formula: C₉H₁₂S₃
• Molecular Weight: 216.392

Synonyms:1,3,5-tris(mercaptomethyl)benzene

Chemical Property of 1,3,5-tris(mercaptomethyl)benzene

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

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Technology Process of 1,3,5-tris(mercaptomethyl)benzene

There total 6 articles about 1,3,5-tris(mercaptomethyl)benzene 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: 94.8%

1,3,5-Tris(bromomethyl)benzene (18226-42-1) → 1,3,5-tris(mercaptomethyl)benzene (38460-57-0)

Guidance literature:

With potassium carbonate; tiolacetic acid; In methanol; at 20 ℃; for 1h;

DOI:10.1021/jacs.9b09899

Reference yield:

1,3,5-tris(isothiouroniummethyl)benzene tribromide → 1,3,5-tris(mercaptomethyl)benzene (38460-57-0)

Guidance literature:

With water; sodium hydroxide; at 80 ℃; for 4h; Inert atmosphere;

Reference yield:

1,3,5-Tris(mercaptomethyl)benzene trisodium salt (63877-73-6) → 1,3,5-tris(mercaptomethyl)benzene (38460-57-0)

Guidance literature:

With hydrogenchloride; In water; pH=3; Cooling with ice;

upstream raw materials:

1,3,5-Tris(bromomethyl)benzene

1,3,5-tris(hydroxymethyl)benzene

1,3,5-tris-(methoxycarbonyl)benzene

triethyl benzene-1,3,5-tricarboxylate

Downstream raw materials:

1,3,5-tris{[(1,1-diethoxycarbonyl-2-methyl)-2-propylthio]methyl}benzene

trimethyl 3,3',3''-[1,3,5-benzenetriyltris(methylenesulfinyl)]trispropanoate

C₉H₁₂O₃S₃

Refernces

Small, Strained Cyclophanes with Methine Hydrogens Projected toward the Centers of Aromatic Rings

10.1021/ja00190a039

This research focuses on the synthesis and characterization of small, strained cyclophanes with methine hydrogens projected toward the centers of aromatic rings. The purpose of the study is to explore the unique structural and spectroscopic properties of these highly strained compounds, which are expected to exhibit unusual behavior due to the extreme proximity of the methine hydrogens to the aromatic rings. The researchers successfully synthesized cyclophanes 3-5 using a one-step cyclization method involving 1,3,5-tris(mercaptomethyl)benzene and suitable trihaloalkanes. The key chemicals used include 1,3,5-tris(mercaptomethyl)benzene, tris(bromomethyl)methane, and various tribromoalkanes. The synthesized cyclophanes displayed very high field 'H NMR resonances and high-frequency IR C-H stretching bands, indicating significant steric compression. X-ray crystallographic analyses of compounds 4 and 5 revealed exceptionally short hydrogen-to-ring distances of 1.81 and 1.69 ?, respectively. The study concludes that molecular mechanics calculations accurately predicted the preferred in geometries and the degree of strain in these molecules, highlighting the utility of computational methods in designing and understanding the properties of highly strained cyclophanes.

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