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CAS No.: | 3262-89-3 |
---|---|
Name: | TRIPHENYLBOROXIN |
Article Data: | 161 |
Molecular Structure: | |
Formula: | C18H15B3O3 |
Molecular Weight: | 311.748 |
Synonyms: | 2,4,6-Triphenylboroxin;Benzeneboronic anhydride;Cyclic benzeneboronic anhydride;Cyclic phenylboronic anhydride;Phenylboronic acid anhydride;Phenylboronic anhydride;Triphenylboroxin;Triphenylboroxole; |
Density: | 1.13 g/cm3 |
Melting Point: | 217.0 to 221.0 °C |
Boiling Point: | 368.3 °C at 760 mmHg |
Flash Point: | 176.6 °C |
PSA: | 27.69000 |
LogP: | 1.23600 |
Conditions | Yield |
---|---|
at 110℃; for 6h; | 100% |
at 110℃; for 6h; Inert atmosphere; Neat (no solvent); | 100% |
Stage #1: phenylboronic acid With barium(II) hydroxide In water at 80℃; for 0.0833333h; Stage #2: With Au38(SCH2CH2Ph)24 In toluene at 80℃; for 12h; Reagent/catalyst; | 100% |
N-(4-chlorobenzylidene)-4-methylbenzenesulfonamide
phenylboronic acid
triphenylboroxine
Conditions | Yield |
---|---|
In toluene for 12h; Dean-Stark; Reflux; | 99% |
Conditions | Yield |
---|---|
In neat (no solvent) refluxing equimolar amounts for 48h;; dissolving in CCl4,; | 91% |
In neat (no solvent) |
Conditions | Yield |
---|---|
With potassium carbonate In ethanol at 78℃; for 1h; Catalytic behavior; Reagent/catalyst; Suzuki-Miyaura Coupling; | A n/a B 87% |
With potassium carbonate In ethanol at 78℃; for 1h; Suzuki-Miyaura Coupling; | A 49% B 6% |
Conditions | Yield |
---|---|
With water; pyridin-2-ylmethyl methanesulphonate In tetrahydrofuran; toluene at 90℃; for 0.666667h; Temperature; Inert atmosphere; | 80.26% |
diphenyl(diethylamino)borane
N,N'-Bis-(diphenylboryl)-hydrazin
(n-C4H9)2BNHNC6H5B(n-C4H9)2
triphenylboroxine
Conditions | Yield |
---|---|
byproducts: (C6H5)2CNNC(C6H5)2; 80°C, reflux, 1.5 h; | 75% |
byproducts: (C6H5)2CNNC(C6H5)2; 80°C, reflux, 1.5 h; | 75% |
2-phenyl-4H-benzo-1,3,2-dioxaborine
A
triphenylboroxine
B
9',9'A-dihydro-4'aH-spiro[chroman-2,1'-xanthen]-2'-one
C
C28H24O4
Conditions | Yield |
---|---|
at 900℃; under 0.005 Torr; | A 70% B 12% C 31% |
piperazine
phenylboronic acid
A
triphenylboroxine
B
4-phenyl-1-piperazine
C
biphenyl
Conditions | Yield |
---|---|
With [Cu4I4(1,4-diazabicyclo[2.2.2]octane)2]n In methanol at 27℃; for 5h; | A 9 %Chromat. B 68% C 20 %Chromat. |
2,4-diphenylbenzo[j]-9-methyl-8-aza-1,3,5,2,4-trioxadiboracycloundec-8-ene
A
triphenylboroxine
B
(rac)-2-(phenyl)benzo[j]-7-methyl-6-aza-1,3-dioxa-2-boracyclononen-6-ene
Conditions | Yield |
---|---|
In toluene for 24h; Reflux; diastereoselective reaction; | A n/a B 60% |
2,4-diphenylbenzo[j]-9-methyl-8-aza-1,3,5,2,4-trioxadiboracycloundec-8-ene
phenylboronic acid
A
triphenylboroxine
B
(rac)-2-(phenyl)benzo[j]-7-methyl-6-aza-1,3-dioxa-2-boracyclononen-6-ene
Conditions | Yield |
---|---|
In toluene soln. of C6H4C(CH3)N(C2H4OB(C6H5)O)B(C6H5) refluxed for 24 h; solvent and water eliminated, residue washed with CH3Cl, recrystd. from chloroform; elem. anal.; | A n/a B 60% |
The Boroxin,2,4,6-triphenyl-, with the CAS registry number 3262-89-3, is also known as Cyclic benzeneboronic anhydride. It belongs to the product category of Organometallics. This chemical's molecular formula is C18H15B3O3 and molecular weight is 311.74. What's more, its IUPAC name is 2,4,6-Triphenyl-1,3,5,2,4,6-trioxatriborinane. It is stable at room temperature and pressure, and it should be stored in a cool and dry place and be protected from light.
Physical properties of Boroxin,2,4,6-triphenyl- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.564; (6)Molar Refractivity: 89.77 cm3; (7)Molar Volume: 275.6 cm3; (8)Polarizability: 35.58×10-24 cm3; (9)Surface Tension: 38.1 dyne/cm; (10)Density: 1.13 g/cm3; (11)Flash Point: 176.6 °C; (12)Enthalpy of Vaporization: 59.08 kJ/mol; (13)Boiling Point: 368.3 °C at 760 mmHg; (14)Vapour Pressure: 2.72E-05 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-phenyl-4H-benzo[1,3,2]dioxaborinine at the temperature of 900 °C. The yield is about 12%.
Uses of Boroxin,2,4,6-triphenyl-: it can be used to produce 4-nitro-biphenyl at the temperature of 65 °C. It will need reagent K2CO3 and solvents acetone, H2O with the reaction time of 45 min. This reaction will also need catalyst palladium acetate. The yield is about 97%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OB(OB(O1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
(2)InChI: InChI=1S/C18H15B3O3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
(3)InChIKey: VOXXGUAZBWSUSS-UHFFFAOYSA-N