Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole |
EINECS | 212-712-0 |
CAS No. | 852-38-0 | Density | 1.172 g/cm3 |
PSA | 38.92000 | LogP | 5.07060 |
Solubility | Soluble in toluene and xylene, insoluble in water | Melting Point |
167-169 °C |
Formula | C20H14N2O | Boiling Point | 480.7 °C at 760 mmHg |
Molecular Weight | 298.344 | Flash Point | 240.7 °C |
Transport Information | N/A | Appearance | white fine crystalline powder |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3,4-Oxadiazole,2-(4-biphenylyl)-5-phenyl- (6CI,8CI);2-(4-Biphenyl)-5-phenyl-1,3,4-oxadiazole;2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole;2-(p-Biphenyl)-5-phenyl-1,3,4-oxadiazole;2-Phenyl-5-(4-biphenylyl)-1,3,4-oxadiazole;2-Phenyl-5-(4'-biphenylyl)-1,3,4-oxadiazole;2-Phenyl-5-p-biphenylyl-1,3,4-oxadiazole;2-p-Biphenylyl-5-phenyl-1,3,4-oxadiazole;5-(4'-Biphenylyl)-2-phenyl-1,3,4-oxadiazole;5-p-Biphenylyl-2-phenyl-1,3,4-oxadiazole;NSC 24858;PBD;Phenyl-2-p-biphenylyl-5-oxadiazole-1,3,4; |
Article Data | 9 |
benzoic acid hydrazide
biphenyl-4-carboxylic acid
2-biphenyl-4-yl-5-phenyl-[1,3,4]oxadiazole
Conditions | Yield |
---|---|
With PS-PPh3; trichloroacetonitrile In acetonitrile at 150℃; for 0.333333h; microwave irradiation; | 85% |
C20H16N2O
2-biphenyl-4-yl-5-phenyl-[1,3,4]oxadiazole
Conditions | Yield |
---|---|
Stage #1: C20H16N2O With iodine; potassium carbonate In dimethyl sulfoxide at 20℃; Green chemistry; Stage #2: With dihydrogen peroxide In water; dimethyl sulfoxide at 20℃; for 7h; Green chemistry; | 85% |
With sodium hypochlorite In water; tert-butyl alcohol at 0 - 20℃; | 225 mg |
4-phenylbenzohydrazide
iodobenzene
tert-butylisonitrile
2-biphenyl-4-yl-5-phenyl-[1,3,4]oxadiazole
Conditions | Yield |
---|---|
With 1,3-bis-(diphenylphosphino)propane; sodium acetate In N,N-dimethyl-formamide at 130℃; for 3h; Inert atmosphere; | 74% |
Biphenyl-4-carboxylic acid [1-phenyl-meth-(E)-ylidene]-hydrazide
2-biphenyl-4-yl-5-phenyl-[1,3,4]oxadiazole
Conditions | Yield |
---|---|
With lead dioxide In acetic acid at 90 - 100℃; for 0.5h; | 65% |
DC-S337
2-biphenyl-4-yl-5-phenyl-[1,3,4]oxadiazole
Conditions | Yield |
---|---|
With trichlorophosphate | |
With trichlorophosphate for 10h; Reflux; |
Conditions | Yield |
---|---|
Multistep reaction; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: N-methylimidazole / CH2Cl2; toluene / 0.5 h / 0 - 20 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine 2: POCl3 View Scheme |
4-biphenyl-carboxylic acid chloride
2-biphenyl-4-yl-5-phenyl-[1,3,4]oxadiazole
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine 2: POCl3 View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrazine 2: pyridine / Heating 3: trichlorophosphate / 10 h / Reflux View Scheme |
The 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole is an organic compound with the formula C20H14N2O. The IUPAC name of this chemical is 2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole. With the CAS registry number 852-38-0 and EINECS 212-712-0, it is also named as 1,3,4-Oxadiazole, 2-(1,1'-biphenyl)-4-yl-5-phenyl-. The product's category is Biphenyl Derivatives. It is white fine crystalline powder which is soluble in toluene and xylene, insoluble in water. When using it, people should not breathe dust and avoid contact with skin and eyes. Additionally, this chemical should be sealed in the container and stored at the temperature of 2-8 °C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.34; (4)ACD/LogD (pH 7.4): 6.34; (5)ACD/BCF (pH 5.5): 38447.32; (6)ACD/BCF (pH 7.4): 38447.32; (7)ACD/KOC (pH 5.5): 66593.3; (8)ACD/KOC (pH 7.4): 66593.3; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 88.51 cm3; (14)Molar Volume: 254.5 cm3; (15)Polarizability: 35.08×10-24 cm3; (16)Surface Tension: 47.9 dyne/cm; (17)Enthalpy of Vaporization: 71.68 kJ/mol; (18)Vapour Pressure: 6.2E-09 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 298.110613; (21)MonoIsotopic Mass: 298.110613; (22)Topological Polar Surface Area: 38.9; (23)Heavy Atom Count: 23; (24)Complexity: 355.
Uses of 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole: It can react with acetyl chloride to get 1-[4'-(5-phenyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-yl]-ethanone. This reaction needs reagent AlCl3 and solvent CH2Cl2 by heating. The reaction time is 5 hours. The yield is 80%.
People can use the following data to convert to the molecule structure.
1. SMILES:n1nc(oc1c2ccccc2)c4ccc(c3ccccc3)cc4
2. InChI:InChI=1/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H
3. InChIKey:WMAXWOOEPJQXEB-UHFFFAOYAA