Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide

Base Information

• Chemical Name: Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide
• CAS No.: 24136-83-2
• Molecular Formula: C₂₃H₂₃N₂O₂*I
• Molecular Weight: 486.352
• DSSTox Substance ID: DTXSID80885256

Synonyms:24136-83-2;2-(6-Acetanilido-1,3,5-hexatrienyl)-3-ethylbenzoxazolium iodide;Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide;Benzoxazolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrien-1-yl)-3-ethyl-, iodide (1:1);Benzoxazolium, 2-(6-(acetylphenylamino)-1,3,5-hexatrienyl)-3-ethyl-, iodide;Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrien-1-yl]-3-ethyl-, iodide (1:1);DTXSID80885256;Benzoxazolium, 3-ethyl-2-(6-(N-phenylacetamido)-1,3,5-hexatrienyl)-, iodide;Benzoxazolium, 3-ethyl-2-[6-(N-phenylacetamido)-1,3,5-hexatrienyl]-, iodide;AKOS024428884;N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide;iodide

Chemical Property of Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 486.08043
• Heavy Atom Count: 28
• Complexity: 563

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(OC2=CC=CC=C21)C=CC=CC=CN(C3=CC=CC=C3)C(=O)C.[I-]

Technology Process of Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide

There total 1 articles about Benzoxazolium, 2-[6-(acetylphenylamino)-1,3,5-hexatrienyl]-3-ethyl-, 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-methyl-1,3-benzoxazol-3-ium iodide (5260-37-7) + acetic anhydride (108-24-7) + N,N'-penta-1,3-diene-1,5-diyl-bis-aniline; hydrochloride (82551-26-6) → 2-<ω-Acetanilido-Δ1,3,5-hexatrienyl-(1)>-N-ethyl-oxazolium-iodid (24136-83-2)

Guidance literature:

Reference yield:

2-<ω-Acetanilido-Δ1,3,5-hexatrienyl-(1)>-N-ethyl-oxazolium-iodid (24136-83-2) + aniline (62-53-3) → 2-(6-anilino-hexa-1,3,5-trienyl)-3-ethyl-benzooxazolium; iodide (24136-90-1)

Guidance literature:

In ethanol;

upstream raw materials:

3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide

acetic anhydride

N,N'-penta-1,3-diene-1,5-diyl-bis-aniline; hydrochloride

Downstream raw materials:

2-(6-anilino-hexa-1,3,5-trienyl)-3-ethyl-benzooxazolium; iodide

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