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

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

 EINECS 217-304-6
CAS No. 1806-34-4 Density 1.204 g/cm3
PSA 52.06000 LogP 6.33060
Solubility N/A Melting Point 242-246 °C(lit.)
Formula C24H16N2O2 Boiling Point 585.1 °C at 760 mmHg
Molecular Weight 364.403 Flash Point 307 °C
Transport Information N/A Appearance Yellow to yellow-green crystalline solid
Safety 22-24/25-26-36 Risk Codes 22-36-36/37/38-20/21/22
Molecular Structure Molecular Structure of 1806-34-4 (POPOP) Hazard Symbols HarmfulXn
Synonyms

p-Bis(5-phenyloxazol-2-yl)benzene;POPOP;Oxazole,2,2'-p-phenylenebis[5-phenyl- (6CI,7CI,8CI);1,4-Bis(5-phenyl-2-oxazolyl)benzene;1,4-Bis(phenyl-2-oxazolyl)benzene;2,2'-p-Phenylenebis(5-phenyloxazole);Di(phenyl-5-oxazolyl-2)-1,4-benzene;NSC24859;

 

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

623-26-7

terephthalonitrile

98-86-2

acetophenone

1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

Conditions
ConditionsYield
With oxone; methanesulfonic acid; tetra-(n-butyl)ammonium iodide at 60℃; for 8h; Reagent/catalyst; Temperature; Large scale;87%
36073-00-4

N,N'-diphenacyl-terephthalamide

1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

Conditions
ConditionsYield
With trichlorophosphate
With sulfuric acid
34591-03-2

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

1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

Conditions
ConditionsYield
With sulfuric acid; acetic anhydride for 0.0333333h;
29604-34-0

zinc(II) chloride tetrahydrate

1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

860267-34-1

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

Conditions
ConditionsYield
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%
29604-34-0

zinc(II) chloride tetrahydrate

1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

860267-35-2

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

Conditions
ConditionsYield
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%
29604-34-0

zinc(II) chloride tetrahydrate

1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

75-05-8

acetonitrile

[Zn2(CH3COO)Cl3(1,4-bis(5-phenyloxazol-2-yl))benzene)1.5]

Conditions
ConditionsYield
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%
1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

101830-21-1

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

Conditions
ConditionsYield
With bromine for 7h; Heating;38%
1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

80-40-0

ethyl ester of p-toluenesulfonic acid

3-ethyl-5-phenyl-2-[4-(5-phenyl-oxazol-2-yl)-phenyl]-oxazolium; toluene-4-sulfonate

Conditions
ConditionsYield
at 180 - 190℃;

[(zinc)4O(1,4-benzenedicarboxylate)3]

1806-34-4

1,4-bis(5-phenyl-2-oxazolyl)benzene

1,4-bis(5-phenyloxazol-2-yl)benzene(at)MOF-5

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

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

The CAS register number of 1,4-Bis(5-phenyloxazol-2-yl)benzene is 1806-34-4. It also can be called as 1,4-Bis(5-phenyl-2-oxazolyl)benzene and the systematic name about this chemical is 2,2'-benzene-1,4-diylbis(5-phenyl-1,3-oxazole). The molecular formula about this chemical is C24H16N2O2 and the molecular weight is 364.4. It belongs to the following product categorie which include Scintillators.

Physical properties about 1,4-Bis(5-phenyloxazol-2-yl)benzene are: (1)ACD/LogP: 6.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.45; (4)ACD/LogD (pH 7.4): 6.45; (5)ACD/BCF (pH 5.5): 46659.19; (6)ACD/BCF (pH 7.4): 46659.19; (7)ACD/KOC (pH 5.5): 76490.56; (8)ACD/KOC (pH 7.4): 76490.56; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.06 Å2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 105.4 cm3; (14)Molar Volume: 302.6 cm3; (15)Polarizability: 41.78x10-24cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.204 g/cm3; (18)Flash Point: 307 °C; (19)Enthalpy of Vaporization: 84.18 kJ/mol; (20)Boiling Point: 585.1 °C at 760 mmHg; (21)Vapour Pressure: 4.62E-13 mmHg at 25 °C.

Uses of 1,4-Bis(5-phenyloxazol-2-yl)benzene: it can be used to produce 1,4-bis[5-(p-Bromophenyl)-4-bromo-2-oxazolyl]benzene. This reaction will need reagent Br2. This reaction needs heating. The reaction time is 7 hour(s). The yield is about 38%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. If you want to use this chemical, wear suitable protective clothing. When you are using it, do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(oc1c4ccc(c2ncc(o2)c3ccccc3)cc4)c5ccccc5
(2)InChI: InChI=1/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H
(3)InChIKey: MASVCBBIUQRUKL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H
(5)Std. InChIKey: MASVCBBIUQRUKL-UHFFFAOYSA-N

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