1,4-Bis(4,5-dihydro-2-oxazolyl)benzene

Base Information

• Chemical Name: 1,4-Bis(4,5-dihydro-2-oxazolyl)benzene
• CAS No.: 7426-75-7
• Deprecated CAS: 144637-45-6
• Molecular Formula: C12H12N2O2
• Molecular Weight: 216.239
• European Community (EC) Number: 231-066-0
• DSSTox Substance ID: DTXSID0064672
• Nikkaji Number: J278.833K
• Wikidata: Q81991757
• Mol file: 7426-75-7.mol

Synonyms:7426-75-7;1,4-Bis(4,5-dihydro-2-oxazolyl)benzene;1,4-Bis(4,5-dihydrooxazol-2-yl)benzene;Oxazole, 2,2'-(1,4-phenylene)bis[4,5-dihydro-;2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole;2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole);EINECS 231-066-0;Oxazole, 2,2'-(1,4-phenylene)bis(4,5-dihydro-;4,5-dihydro-2-(4-(4,5-dihydrooxazol-2-yl)phenyl)oxazole;2,2'-(1,4-phenylene)bis[4,5-dihydrooxazole];SCHEMBL132013;DTXSID0064672;2,2'-p-phenylenebis(2-oxazoline);AMY10809;MFCD00142545;AKOS022171977;AS-63627;2,2'-(1,4-Phenylene)bis(2-oxazoline);2,2'-(1,4-phenylene)-bis(2-oxazoline);B1512;FT-0757188;L10056;Oxazole,2,2'-(1,4-phenylene)bis[4,5-dihydro-;2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole #

Chemical Property of 1,4-Bis(4,5-dihydro-2-oxazolyl)benzene

Chemical Property:

• Vapor Pressure: 1.38E-05mmHg at 25°C
• Melting Point: 146°C
• Refractive Index: 1.646
• Boiling Point: 378.3 °C at 760 mmHg
• PKA: 4.55±0.50(Predicted)
• Flash Point: 148 °C
• PSA: 43.18000
• Density: 1.32 g/cm³
• LogP: 0.11140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Bis(4,5-dihydro-2-oxazolyl)benzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=N1)C2=CC=C(C=C2)C3=NCCO3

Technology Process of 1,4-Bis(4,5-dihydro-2-oxazolyl)benzene

There total 12 articles about 1,4-Bis(4,5-dihydro-2-oxazolyl)benzene 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: 97.0%

terephthalonitrile (623-26-7) + ethanolamine (141-43-5) → 1,4-bis(4,5-dihydro-2-oxazolyl)benzene (7426-75-7)

Guidance literature:

With trichloroisocyanuric acid; In neat (no solvent); at 110 ℃; for 6.5h; chemoselective reaction;

DOI:10.2298/JSC111031028H

Reference yield: 97.0%

Terephthalic acid bis-N-(2-hydroxyethyl)amide (18928-62-6) → 1,4-bis(4,5-dihydro-2-oxazolyl)benzene (7426-75-7)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.09.127

Reference yield: 91.0%

terephthalaldehyde, (623-27-8) + ethanolamine (141-43-5) → 2-(4-formylphenyl)-4,5-dihydrooxazole (882045-60-5) + 1,4-bis(4,5-dihydro-2-oxazolyl)benzene (7426-75-7)

Guidance literature:

With pyridinium hydrobromide perbromide; at 20 ℃; for 40h;

DOI:10.1055/s-2006-941597

upstream raw materials:

sulfuric acid mono-(2-amino-ethyl ester)

terephthaloyl chloride

N,N'-bis-(2-chloro-ethyl)-terephthalamide

terephthalic acid

Downstream raw materials:

1,4-Phenylene-2,2'-bisoxazole

4,5,4',5'-tetrahydro-2,2'-cyclohexane-1,4-diyl-bis-oxazole

2,2'-bisethanol

Refernces

• 1、 Anitha, Panneerselvam,Viswanathamurthi, Periasamy,Kesavan, Devarayan,Butcher, Ray Jay. "Ruthenium(II) 9,10-phenanthrenequinone thiosemicarbazone complexes: Synthesis, characterization, and catalytic activity towards the reduction as well as condensation of nitriles". . p. 321 - 334. Retrieved 2015/10/20.
• 2、 Garg, Parul,Chaudhary, Shweta,Milton, Marilyn D.. "Synthesis of 2-aryl/heteroaryloxazolines from nitriles under metaland catalyst-free conditions and evaluation of their antioxidant activities". . p. 8668 - 8677. Retrieved 2015/01/08.