1,4-Bis(4-methyl-5-phenyloxazol-2-yl)benzene

Base Information

• Chemical Name: 1,4-Bis(4-methyl-5-phenyloxazol-2-yl)benzene
• CAS No.: 3073-87-8
• Molecular Formula: C26H20 N2 O2
• Molecular Weight: 392.457
• Hs Code.: 2934999090
• European Community (EC) Number: 221-349-7
• DSSTox Substance ID: DTXSID6062830
• Nikkaji Number: J7.676G
• Wikidata: Q81990290
• Mol file: 3073-87-8.mol

Synonyms:dimethyl-POPOP

Chemical Property of 1,4-Bis(4-methyl-5-phenyloxazol-2-yl)benzene

Chemical Property:

• Appearance/Colour: yellow needles with a blue fluorescence
• Vapor Pressure: 1.74E-12mmHg at 25°C
• Melting Point: 233-235 °C(lit.)
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 571.7°Cat760mmHg
• PKA: 0.76±0.10(Predicted)
• Flash Point: 290.6°C
• PSA: 52.06000
• Density: 1.17g/cm³
• LogP: 6.94740
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 392.152477885
• Heavy Atom Count: 30
• Complexity: 489

Purity/Quality:

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

Dimethyl-POPOP ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Other Dyes
• Canonical SMILES: CC1=C(OC(=N1)C2=CC=C(C=C2)C3=NC(=C(O3)C4=CC=CC=C4)C)C5=CC=CC=C5
• Uses: As a scintillation phosphor. Dimethyl-POPOP is a useful compound for technical material use in radiation detection via a plastic scintillator.

Technology Process of 1,4-Bis(4-methyl-5-phenyloxazol-2-yl)benzene

There total 5 articles about 1,4-Bis(4-methyl-5-phenyloxazol-2-yl)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: 63.0%

1,4-bis(5-((4,6-dimethoxy-1,3,5-triazin-2-yl)oxy)-4-methyloxazol-2-yl)benzene + phenylboronic acid (98-80-6) → 1,4-bis-2-(4-methyl-5-phenyloxazolyl)benzene (3073-87-8)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; lithium chloride; In toluene; at 110 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.3762/bjoc.13.146

Reference yield:

terephthalic acid (100-21-0) → 1,4-bis-2-(4-methyl-5-phenyloxazolyl)benzene (3073-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 4-methyl-morpholine / water; 1,4-dioxane / 0.25 h / 20 °C

1.2: 3 h

2.1: [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; potassium phosphate; lithium chloride; 1,1'-bis-(diphenylphosphino)ferrocene / toluene / 6 h / 110 °C / Inert atmosphere; Sealed tube

With 4-methyl-morpholine; 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; lithium chloride; In 1,4-dioxane; water; toluene; 2.1: |Suzuki-Miyaura Coupling;

DOI:10.3762/bjoc.13.146

Reference yield:

1,1'-diphenyl-2,2'-(N,N'-dioxy-N,N'-p-phenylenebismethylene-diamino)-bis-propan-1-one (34591-00-9) → 1,4-bis-2-(4-methyl-5-phenyloxazolyl)benzene (3073-87-8)

Guidance literature:

With sulfuric acid; acetic anhydride; for 0.0333333h;

upstream raw materials:

terephthaloyl chloride

2-(1-oxo-1-phenylpropan-2-yl) isoindoline-1,3-dione

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

phenylboronic acid

Downstream raw materials:

4-(p-Terphenyl-2-ylmethyl)-4'-(p-terphenyl-4-ylmethyl)-2,2'-(p-phenylen)bis<5-phenyloxazol>

3-<2-<4-(4-Methyl-5-phenyloxazol-2-yl)phenyl>-5-phenyloxazol-4-yl>propyl-(p-terphenyl-4-yl-acetat)

2-(p-Terphenyl-4-yl)-3-<2-<4-(4-methyl-5-phenyloxazol-2-yl)phenyl>-5-phenyloxazol-4-yl>propionsaeure-ethylester

2-<4-(4-Methyl-5-phenyloxazol-2-yl)phenyl>-5-phenyloxazol-4-ylmethyl(p-terphenyl-4-ylacetat)