2,6-Dimethyl-4-phenylpyran-1-ium perchlorate

Base Information

• Chemical Name: 2,6-Dimethyl-4-phenylpyran-1-ium perchlorate
• CAS No.: 3044-70-0
• Molecular Formula: C13H13O.ClO4
• Molecular Weight: 284.696
• DSSTox Substance ID: DTXSID80545904
• NSC Number: 405314
• Mol file: 3044-70-0.mol

Synonyms:3044-70-0;2,6-Dimethyl-4-phenylpyran-1-ium perchlorate;DTXSID80545904;NSC405314;NSC-405314;2,6-dimethyl-4-phenylpyrylium perchlorate

Chemical Property of 2,6-Dimethyl-4-phenylpyran-1-ium perchlorate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 284.0451512
• Heavy Atom Count: 19
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dimethyl-4-phenylpyran-1-ium perchlorate

There total 3 articles about 2,6-Dimethyl-4-phenylpyran-1-ium perchlorate 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: 30.0%

→ 2,6-dimethyl-4-phenyl-pyrylium; perchlorate (3044-70-0)

Guidance literature:

With perchloric acid; In acetic anhydride; at 0 ℃; for 2h;

DOI:10.1021/jo00332a013

Reference yield:

phenylmagnesium bromide → 2,6-dimethyl-4-phenyl-pyrylium; perchlorate (3044-70-0)

Guidance literature:

With diethyl ether; methoxybenzene; at -10 ℃; Behandeln mit Ueberchlorsaeure;

Reference yield:

acetyl chloride (75-36-5) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 2,6-dimethyl-4-phenyl-pyrylium; perchlorate (3044-70-0)

Guidance literature:

With aluminium trichloride; behandeln des Reaktionsprodukts mit wss. Perchlorsaeure;

upstream raw materials:

acetyl chloride

isopropenylbenzene

Downstream raw materials:

2,6-dimethyl-4-phenylpyridine

4-phenylheptane-2,6-dione

5-Methyl-7-phenyl-indolizine

Refernces

• 1、 Katritzky, Alan R.,El-Mowafy, Azzahra M.,Musumarra, Giuseppe,Sakizadeh, Kumars,Sana-Ullah, Choudhry,et al.. "Kinetics and Mechanisms of Nucleophilic Displacements with Heterocycles as Leaving Groups. 2. N-Benzylpyridinium Cations: Rate Variation with Steric Effects in the Leaving Group". . p. 3823 - 3830. Retrieved 2007/10/02.