1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide

Base Information

• Chemical Name: 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide
• CAS No.: 116197-00-3
• Molecular Formula: C₂₁H₂₃S₂*I
• Molecular Weight: 466.45
• Mol file: 116197-00-3.mol

Synonyms:1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide;2H-Thiopyranium, tetrahydro-4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-1-ylidene)-1-methyl-,iodide;116197-00-3;C21H23S2.I;C21-H23-S2.I;LS-153254

Chemical Property of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 466.02859
• Heavy Atom Count: 24
• Complexity: 445

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2=C4CC[S+](CC4)C.[I-]

Technology Process of 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium iodide

There total 3 articles about 1-Methyl-4-(2-methyl-6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)tetrahydrothiopyranium 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: 97.0%

4-(2-Methyl-6,11-dihydrodibenzothiepin-11-ylidene)tetrahydrothiopyran (116196-91-9) + methyl iodide (74-88-4) → 1-Methyl-4-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)tetrahydrothiopyranium Iodide (116197-00-3)

Guidance literature:

Reference yield:

4-Bromotetrahydrothiopyran (32358-88-6) → 1-Methyl-4-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)tetrahydrothiopyranium Iodide (116197-00-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Mg, SOCl₂, pyridine

2: 97 percent

With pyridine; thionyl chloride; magnesium;

Reference yield:

2-methyldibenzothiepin-11(6H)-one (5202-11-9) → 1-Methyl-4-(2-methyl-6,11-dihydrodibenzothiepin-11-ylidene)tetrahydrothiopyranium Iodide (116197-00-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Mg, SOCl₂, pyridine

2: 97 percent

With pyridine; thionyl chloride; magnesium;

upstream raw materials:

4-(2-Methyl-6,11-dihydrodibenzothiepin-11-ylidene)tetrahydrothiopyran

methyl iodide

4-Bromotetrahydrothiopyran

2-methyldibenzothiepin-11(6H)-one