1806-34-4

Basic information

• Product Name: POPOP
• Synonyms: 1,4-BIS(5-PHENYLOXAZOL-2-YL)BENZENE, 98+%;1,4-BIS(5-PHENYLOXAZOL-2-YL)BENZENE 99+% POPOP;1,4-BIS(5-PHENYLOXAZOL-2-YL)BENZENE (POPOP);1,4-Bis[2-(5-phenyloxazolyl)]benzene [for scintillation spectrometry];1,4-bis(5-phenyloxyazol-2-yl)benzene;1,4-Bis(5-phenyloxazol-2-yl)benzene, 99+%;2,2μ-p-Phenylene-bis(5-phenyloxazole), POPOP;POPOP(scintillator)
• CAS NO: 1806-34-4
• Molecular Formula: C₂₄H₁₆N₂O₂
• Molecular Weight: 364.4
• EINECS: 217-304-6
• Product Categories: Scintillators
• Mol File: 1806-34-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 242-246 °C(lit.)
• Boiling Point: 585.1 °C at 760 mmHg
• Flash Point: 307 °C
• Appearance: Yellow/Solid
• Density: 1.204
• Storage Temp.: Store at RT.
• Solubility: almost transparency in hot Toluene
• PKA: 0.01±0.10(Predicted)
• BRN: 325741
• CAS DataBase Reference: POPOP(CAS DataBase Reference)
• NIST Chemistry Reference: POPOP(1806-34-4)
• EPA Substance Registry System: POPOP(1806-34-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36-36/37/38-20/21/22
• Safety Statements: 22-24/25-26-36
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 1806-34-4(Hazardous Substances Data)

Usage

Chemical Properties

YELLOW TO YELLOW-GREEN CRYSTALLINE SOLID

InChI:InChI=1/H5O2P3/c3-1-5-2-4/h5H,3-4H2

Synthetic route

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

Conditions	Yield
With oxone; methanesulfonic acid; tetra-(n-butyl)ammonium iodide at 60℃; for 8h; Reagent/catalyst; Temperature; Large scale;	87%

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

Conditions	Yield
With trichlorophosphate
With sulfuric acid

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)

Conditions	Yield
With sulfuric acid; acetic anhydride for 0.0333333h;

zinc(II) chloride tetrahydrate (29604-34-0) + 1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4) → [ZnCl2(H2O)(1,4-bis(5-phenyloxazol-2-yl)benzene)]*1,4-bis(5-phenyloxazol-2-yl)benzene (860267-34-1)

Conditions	Yield
In acetonitrile High Pressure; mixt. of bisoxazol and Zn salt (0.1:0.48 molar ratio) in CH3CN heated at100°C in teflon-lined steel reactor for 72 h; cooled, crystd. within 24 h; elem. anal.;	68%

zinc(II) chloride tetrahydrate (29604-34-0) + 1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4) → [ZnCl2(1,4-bis(5-phenyloxazol-2-yl)benzene)]n (860267-35-2)

Conditions	Yield
In acetonitrile High Pressure; mixt. of bisoxazol and Zn salt (0.1:0.48 molar ratio) in CH3CN heated at110°C in teflon-lined steel reactor for 72 h; cooled, crystd. within 24 h; elem. anal.;	65%

zinc(II) chloride tetrahydrate (29604-34-0) + 1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4) + acetonitrile (75-05-8) → [Zn2(CH3COO)Cl3(1,4-bis(5-phenyloxazol-2-yl))benzene)1.5]

Conditions	Yield
In acetonitrile High Pressure; mixt. of bisoxazol and Zn salt (0.1:0.48 molar ratio) in CH3CN heated at150°C in teflon-lined steel reactor for 72 h; cooled, crystd. within 24 h; elem. anal.;	65%

1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4) → 1,4-bis<5-(p-Bromophenyl)-4-bromo-2-oxazolyl>benzene (101830-21-1)

Conditions	Yield
With bromine for 7h; Heating;	38%

1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4) + ethyl ester of p-toluenesulfonic acid (80-40-0) → 3-ethyl-5-phenyl-2-[4-(5-phenyl-oxazol-2-yl)-phenyl]-oxazolium; toluene-4-sulfonate

Conditions	Yield
at 180 - 190℃;

[(zinc)4O(1,4-benzenedicarboxylate)3] + 1,4-bis(5-phenyl-2-oxazolyl)benzene (1806-34-4) → 1,4-bis(5-phenyloxazol-2-yl)benzene(at)MOF-5

Conditions	Yield
In N,N-dimethyl-formamide for 12h;

Upstream product

• 36073-00-4 N,N'-diphenacyl-terephthalamide 
• 34591-03-2 1,1'-diphenyl-2,2'-(N,N'-dioxy-N,N'-p-phenylenebismethylene-diamino)-bis-ethanone 
• 623-26-7 terephthalonitrile 
• 98-86-2 acetophenone 

Downstream Products

• 101830-21-1 1,4-bis<5-(p-Bromophenyl)-4-bromo-2-oxazolyl>benzene 
• 860267-34-1 [ZnCl₂(H₂O)(1,4-bis(5-phenyloxazol-2-yl)benzene)]*1,4-bis(5-phenyloxazol-2-yl)benzene 

Relevant articles and documents

Process method for preparing 1, 4-bis (5-phenyl-2-oxazolyl) benzene

The invention discloses a process method for preparing 1, 4-bis (5-phenyl-2-oxazolyl) benzene, which comprises the following step: reacting terephthalonitrile serving as a raw material with acetophenone under the catalysis of a proper amount of acidic compound, halide and oxidant to obtain the 1, 4-bis (5-phenyl-2-oxazolyl) benzene. The method is short in reaction step and low in risk.