(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole;iodide

Base Information

• Chemical Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole;iodide
• CAS No.: 29572-80-3
• Molecular Formula: C₃₄H₃₁N₂O₂*I
• Molecular Weight: 626.537
• Mol file: 29572-80-3.mol

Synonyms:

Chemical Property of (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole;iodide

Chemical Property:

• PSA: 35.09000
• LogP: 4.81090
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 626.14303
• Heavy Atom Count: 39
• Complexity: 774

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)OC1=CC(=CC4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CC)C.[I-]
• Isomeric SMILES: CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C\C(=C\C4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CC)\C.[I-]

Technology Process of (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole;iodide

There total 1 articles about (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole;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:

N-phenyl-thioacetimidic acid ethyl ester (87876-89-9) → 1,3-bis-(3-ethyl-5-phenyl-benzoxazol-2-yl)-2-methyl trimethinium ; iodide (29572-80-3)

Guidance literature:

With pyridine; at 140 ℃;

DOI:10.1039/jr9530002217

Reference yield:

nicotinic acid (59-67-6) + 3-Ethyl-2-{(E)-3-[3-ethyl-5-phenyl-3H-benzooxazol-(2Z)-ylidene]-2-methyl-propenyl}-5-phenyl-benzooxazol-3-ium; iodide (29572-80-3) → Nicotinate3-ethyl-2-{(E)-3-[3-ethyl-5-phenyl-3H-benzooxazol-(2Z)-ylidene]-2-methyl-propenyl}-5-phenyl-benzooxazol-3-ium; (96643-41-3)

Guidance literature:

With sodium methylate; Yield given. Multistep reaction; 1) CH₂Cl₂, CH₃OH, 2) C₂H₅OH, C₆H₆;

upstream raw materials:

N-phenyl-thioacetimidic acid ethyl ester

Downstream raw materials:

Nicotinate₃-ethyl-2-{(E)-3-[3-ethyl-5-phenyl-3H-benzooxazol-(2Z)-ylidene]-2-methyl-propenyl}-5-phenyl-benzooxazol-3-ium;

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