3-Ethyl-2,5,6-trimethylbenzoxazolium iodide

Base Information

• Chemical Name: 3-Ethyl-2,5,6-trimethylbenzoxazolium iodide
• CAS No.: 62509-87-9
• Molecular Formula: C12H16INO
• Molecular Weight: 317.17
• European Community (EC) Number: 263-579-0
• DSSTox Substance ID: DTXSID80886480

Synonyms:62509-87-9;3-Ethyl-2,5,6-trimethylbenzoxazolium iodide;2,5,6-TRIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE;Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide;EINECS 263-579-0;3-Ethyl-2,5,6-trimethylbenzo[d]oxazol-3-ium iodide;Benzoxazolium, 3-ethyl-2,5,6-trimethyl-, iodide (1:1);SCHEMBL7255517;DTXSID80886480;FT-0738973

Chemical Property of 3-Ethyl-2,5,6-trimethylbenzoxazolium iodide

Chemical Property:

• PSA: 17.02000
• LogP: -0.33060
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 317.02766
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

2,5,6-TRIMETHYL-3-ETHYLBENZOXAZOLIUM IODIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C.[I-]

Technology Process of 3-Ethyl-2,5,6-trimethylbenzoxazolium iodide

There total 1 articles about 3-Ethyl-2,5,6-trimethylbenzoxazolium 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:

→ 3-ethyl-2,5,6-trimethyl-benzooxazolium; iodide (62509-87-9)

Guidance literature:

Reference yield:

(1,1,3,3-tetraethoxy-propyl)-benzene (35327-67-4) + 3-ethyl-2,5,6-trimethyl-benzooxazolium; iodide (62509-87-9) → 2-(4-ethoxy-2-phenyl-buta-1,3-dienyl)-3-ethyl-5,6-dimethyl-benzooxazolium; iodide (35328-00-8)

Guidance literature:

In acetic anhydride;

DOI:10.1007/BF00479953

Downstream raw materials:

2-(4-ethoxy-2-phenyl-buta-1,3-dienyl)-3-ethyl-5,6-dimethyl-benzooxazolium; iodide

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