2,6-Dimethyl-4-benzylmercaptopyrylium iodide

Base Information

• Chemical Name: 2,6-Dimethyl-4-benzylmercaptopyrylium iodide
• CAS No.: 74332-95-9
• Molecular Formula: C₁₄H₁₅OS*I
• Molecular Weight: 358.243
• NSC Number: 36466
• DSSTox Substance ID: DTXSID00995866
• Mol file: 74332-95-9.mol

Synonyms:74332-95-9;2,6-Dimethyl-4-benzylmercaptopyrylium iodide;NSC 36466;Pyrylium, 4-benzylthio-2,6-dimethyl-, iodide;Pyrylium, 2,6-dimethyl-4-((phenylmethyl)thio)-, iodide;Pyrylium, 2,6-dimethyl-4-[(phenylmethyl)thio]-, iodide;Pyrylium,4-benzylthio-2,6-dimethyl-,iodide;C14H15OS.I;DTXSID00995866;C14-H15-O-S.I;NSC36466;NSC-36466;LS-139807;4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide;Pyrylium,6-dimethyl-4-[(phenylmethyl)thio]-, iodide

Chemical Property of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide

Chemical Property:

• Vapor Pressure: 0.000141mmHg at 25°C
• Boiling Point: 343.3°C at 760 mmHg
• Flash Point: 161.4°C
• PSA: 38.44000
• Density: 1.1g/cm³
• LogP: 1.47380
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 357.98883
• Heavy Atom Count: 17
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

4-BENZYLTHIO-2,6-DIMETHYL-PYRYLIUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=[O+]1)C)SCC2=CC=CC=C2.[I-]

Technology Process of 2,6-Dimethyl-4-benzylmercaptopyrylium iodide

There total 1 articles about 2,6-Dimethyl-4-benzylmercaptopyrylium 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:

2,6-dimethyl-pyran-4-thione (1004-37-1) + iodomethylbenzene (620-05-3) → 4-benzylsulfanyl-2,6-dimethyl-pyrylium; iodide (74332-95-9)

Guidance literature:

With acetone;

DOI:10.1021/ja01145a098

Reference yield:

4-benzylsulfanyl-2,6-dimethyl-pyrylium; iodide (74332-95-9) → 4-benzylmercapto-2,6-dimethyl-pyridine

Guidance literature:

With ammonium carbonate; ammonium hydroxide;

DOI:10.1021/ja01145a098 DOI:10.1021/jo01122a007

Reference yield:

4-benzylsulfanyl-2,6-dimethyl-pyrylium; iodide (74332-95-9) + benzylamine (100-46-9) → 1-benzyl-4-benzylsulfanyl-2,6-dimethyl-pyridinium; iodide (6322-87-8)

Guidance literature:

With ethanol;

DOI:10.1021/jo01122a007

upstream raw materials:

2,6-dimethyl-pyran-4-thione

iodomethylbenzene

Downstream raw materials:

1-benzyl-4-benzylsulfanyl-2,6-dimethyl-pyridinium; iodide

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