Popop

Base Information

• Chemical Name: Popop
• CAS No.: 1806-34-4
• Molecular Formula: C24H16N2O2
• Molecular Weight: 364.403
• Hs Code.: 29349990
• European Community (EC) Number: 217-304-6
• NSC Number: 24859
• UNII: MDI740G2Q0
• DSSTox Substance ID: DTXSID7061984
• Nikkaji Number: J7.780A
• Wikipedia: POPOP
• Wikidata: Q414326
• ChEMBL ID: CHEMBL1533636
• Mol file: 1806-34-4.mol

Synonyms:1,4-bis-2-(5-phenyloxazolyl)-benzene;POPOP

Chemical Property of Popop

Chemical Property:

• Appearance/Colour: Yellow to yellow-green crystalline solid
• Melting Point: 242-246 °C(lit.)
• Boiling Point: 585.1 °C at 760 mmHg
• PKA: 0.01±0.10(Predicted)
• Flash Point: 307 °C
• PSA: 52.06000
• Density: 1.204 g/cm³
• LogP: 6.33060
• Storage Temp.: Store at RT.
• Solubility.: almost transparency in hot Toluene
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 364.121177757
• Heavy Atom Count: 28
• Complexity: 437

Purity/Quality:

99% ^*data from raw suppliers

1,4-Bis(5-phenyl-2-oxazolyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-36/37/38-20/21/22
• Safety Statements: 22-24/25-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Other Dyes
• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5

Technology Process of Popop

There total 4 articles about Popop 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: 87.0%

terephthalonitrile (623-26-7) + acetophenone (98-86-2) → 1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4)

Guidance literature:

With oxone; methanesulfonic acid; tetra-(n-butyl)ammonium iodide; at 60 ℃; for 8h; Reagent/catalyst; Temperature; Large scale;

Reference yield:

N,N'-diphenacyl-terephthalamide (36073-00-4) → 1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4)

Guidance literature:

With trichlorophosphate;

DOI:10.1021/ja01612a041

Reference yield:

1,1'-diphenyl-2,2'-(N,N'-dioxy-N,N'-p-phenylenebismethylene-diamino)-bis-ethanone (34591-03-2) → 1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4)

Guidance literature:

With sulfuric acid; acetic anhydride; for 0.0333333h;

upstream raw materials:

N,N'-diphenacyl-terephthalamide

1,1'-diphenyl-2,2'-(N,N'-dioxy-N,N'-p-phenylenebismethylene-diamino)-bis-ethanone

terephthalonitrile

acetophenone

Downstream raw materials:

[ZnCl₂(H₂O)(1,4-bis(5-phenyloxazol-2-yl)benzene)]*1,4-bis(5-phenyloxazol-2-yl)benzene

1,4-bis<5-(p-Bromophenyl)-4-bromo-2-oxazolyl>benzene

Refernces