4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium iodide

Base Information

• Chemical Name: 4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium iodide
• CAS No.: 116197-05-8
• Molecular Formula: C₁₉H₂₃OS*I
• Molecular Weight: 426.362
• DSSTox Substance ID: DTXSID90921957
• Mol file: 116197-05-8.mol

Synonyms:116197-05-8;4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium iodide;4-(Diphenylmethoxy)-1-methyl-2H-thiotetrahydropyranium iodide;2H-Thiopyranium, tetrahydro-4-(diphenylmethoxy)-1-methyl-, iodide;C19H23OS.I;DTXSID90921957;C19-H23-O-S.I;AKOS005066458;LS-153255;4-(Diphenylmethoxy)-1-methylthian-1-ium iodide

Chemical Property of 4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 426.05143
• Heavy Atom Count: 22
• Complexity: 268

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[S+]1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Technology Process of 4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium iodide

There total 3 articles about 4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium iodide 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: 87.0%

4-(Benzhydryloxy)tetrahydrothiopyran (116197-04-7) + methyl iodide (74-88-4) → 4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium Iodide (116197-05-8)

Guidance literature:

In methanol; benzene; for 96h; Ambient temperature;

Reference yield:

tetrahydrothiopyran-4-ol (29683-23-6) → 4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium Iodide (116197-05-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / K₂CO₃ / xylene / 5 h / Heating

2: 87 percent / methanol; benzene / 96 h / Ambient temperature

With potassium carbonate; In methanol; xylene; benzene;

Reference yield:

diphenylchloromethane (90-99-3) → 4-(Benzhydryloxy)-1-methyltetrahydrothiopyranium Iodide (116197-05-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / K₂CO₃ / xylene / 5 h / Heating

2: 87 percent / methanol; benzene / 96 h / Ambient temperature

With potassium carbonate; In methanol; xylene; benzene;

upstream raw materials:

4-(Benzhydryloxy)tetrahydrothiopyran

methyl iodide

tetrahydrothiopyran-4-ol

diphenylchloromethane