2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole

Base Information

• Chemical Name: 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole
• CAS No.: 36422-63-6
• Deprecated CAS: 120366-98-5,2252271-38-6
• Molecular Formula: C₂₈H₁₈N₂O₂
• Molecular Weight: 414.463
• European Community (EC) Number: 216-245-3
• NSC Number: 252132
• UNII: 128BY3ERD5
• DSSTox Substance ID: DTXSID10892019
• Nikkaji Number: J37.052E,J3.150.503H
• Mol file: 36422-63-6.mol

Synonyms:2,2'-(vinylenedi-4-phenylene)bis(benzoxazole);2,2'-(vinylenedi-p-phenylene)bis(benzoxazole)

Chemical Property of 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole

Chemical Property:

• Boiling Point: 566.8°Cat760mmHg
• Flash Point: 285.1°C
• Density: 1.281g/cm³
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 414.136827821
• Heavy Atom Count: 32
• Complexity: 583

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

Technology Process of 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole

There total 7 articles about 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole 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: 93.0%

2-(4-methylphenyl)-1,3-benzoxazole (835-71-2) → 2,2'-(4,4'-distyrylphenyl)phenylenebenzobisoxazole (36422-63-6,1533-45-5)

Guidance literature:

With sulfur; In 5,5-dimethyl-1,3-cyclohexadiene; at 210 - 250 ℃; Temperature; Reagent/catalyst; Solvent;

Reference yield: 92.0%

2-(4-bromomethylphenyl)benzoxazole (24239-07-4) → 2,2'-(4,4'-distyrylphenyl)phenylenebenzobisoxazole (36422-63-6,1533-45-5)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1007/BF00503327

Reference yield: 51.0%

2-(4-bromomethylphenyl)benzoxazole (24239-07-4) → 4,4'-di(2-benzoxazolyl)dibenzyl ether (78659-80-0) + 2,2'-(4,4'-distyrylphenyl)phenylenebenzobisoxazole (36422-63-6,1533-45-5)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1007/BF00503327

upstream raw materials:

2-(4-bromomethylphenyl)benzoxazole

C₂₈H₂₂N₂O₄

Stilbene-4,4'-dicarboxylic acid

4,4'-stilbenedicarbonyl dichloride

Refernces

• 1、 -. "Preparation 2, the 2 [...] -(4,4 the- [...]benzoin ethenyl ) method of the double-benzoxazole". Paragraph 0014-0019. . Retrieved 2017/02/24.
• 2、 Seha, Zdenek,Weis, Claus D. "Eine einfache Methode zur Herstellung von Benzoxazolen". . p. 413 - 419. Retrieved 2007/10/02.