2-(4-(Acetylphenylamino)buta-1,3-dienyl)-3-ethylbenzoxazolium iodide

Base Information

• Chemical Name: 2-(4-(Acetylphenylamino)buta-1,3-dienyl)-3-ethylbenzoxazolium iodide
• CAS No.: 5217-54-9
• Molecular Formula: C21H21 N2 O2 . I
• Molecular Weight: 460.314
• European Community (EC) Number: 226-011-2
• Mol file: 5217-54-9.mol

Synonyms:EINECS 226-011-2;2-(4-(Acetylphenylamino)buta-1,3-dienyl)-3-ethylbenzoxazolium iodide;Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-ethyl-, iodide;Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-ethyl-, iodide (1:1);5217-54-9;2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethylbenzoxazolium iodide;Benzoxazolium, 2-[4-(acetylphenylamino)-1,3-butadienyl]-3-ethyl-, iodide;Benzoxazolium, 3-ethyl-2-[4-[(phenylacetyl)amino]-1,3-butadienyl]-, iodide

Chemical Property of 2-(4-(Acetylphenylamino)buta-1,3-dienyl)-3-ethylbenzoxazolium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 38.15000
• Density: g/cm³
• LogP: 0.83750
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 460.06478
• Heavy Atom Count: 26
• Complexity: 496

Purity/Quality:

99% ^*data from raw suppliers

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

Technology Process of 2-(4-(Acetylphenylamino)buta-1,3-dienyl)-3-ethylbenzoxazolium iodide

There total 3 articles about 2-(4-(Acetylphenylamino)buta-1,3-dienyl)-3-ethylbenzoxazolium 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) → 2-[4-(N-acetyl-anilino)-buta-1,3-dienyl]-3-ethyl-benzoxazolium; iodide (5217-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: anschliessend Umsetzung mit Anilin

DOI:10.1039/jr9490000032

Reference yield:

[4-(3-ethyl-3H-benzoxazol-2-ylidene)-but-2-enyliden]-aniline; hydriodide + acetic anhydride (108-24-7) → 2-[4-(N-acetyl-anilino)-buta-1,3-dienyl]-3-ethyl-benzoxazolium; iodide (5217-54-9)

Guidance literature:

DOI:10.1039/jr9490000032

Reference yield:

3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide (5260-37-7) + acetic anhydride (108-24-7) + phenyl[3-phenylaminoprop-2-en-1-ylidene]ammonium chloride (23769-16-6,28140-60-5,50328-50-2,58467-94-0,125367-88-6) → 2-[4-(N-acetyl-anilino)-buta-1,3-dienyl]-3-ethyl-benzoxazolium; iodide (5217-54-9)

Guidance literature:

upstream raw materials:

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

acetic anhydride

phenyl[3-phenylaminoprop-2-en-1-ylidene]ammonium chloride