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Cas Database |
| Name |
Pyridine-triphenylborane |
EINECS | N/A |
| CAS No. | 971-66-4 | Density | N/A |
| PSA | 8.39000 | LogP | 3.28440 |
| Solubility | N/A | Melting Point |
214-215 °C (decomp) |
| Formula | C23H20BN | Boiling Point | 348 °C at 760 mmHg |
| Molecular Weight | 321.229 | Flash Point | 161.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyridine,compd. with triphenylborane (1:1) (8CI);Pyridine, compd. with triphenylborane(7CI);Borane, triphenyl-, compd. with pyridine (1:1) (8CI);Borocide P;KH101;PK;PK Boron;Triphenyl(pyridine)borane;Triphenylborane-pyridine complex;Triphenylboronpyridine; |
Article Data | 9 |
Pyridine-triphenylborane Synthetic route
- 143-66-8
sodium tetraphenyl borate
- 7789-45-9
copper(ll) bromide
A
- 971-66-4
triphenylborane pyridine complex
B
- 14637-33-3
tetraphenyl-boric acid ; copper (I)-salt
| Conditions | Yield |
|---|---|
| With pyridine In 1,2-dimethoxyethane byproducts: NaBr, biphenyl; CuBr2 added to NaBPh4 soln.; mixt. stirred at 25°C for 48 h; DME removed in vac.; residue extd. under N2 with hexane and diethyl ether; pyridine added to combined extracts; Ph3B*pyridine ppt. filtered and recrystd.; identified by m.p. and IR spectrum; filtrate evapd. to give biphenyl; further extn. of reactn. residue by THF; ext. evapd. under N2 to give CuBPh4; | A 95% B 85% |
- 863607-63-0
bis(η5-1,2,4-tri-tert-butylcyclopentadienyl)U(O)(pyridine)
- 960-71-4
triphenylborane
A
- 971-66-4
triphenylborane pyridine complex
B
- 863607-65-2
bis(1,2,4-tri-tert-butylcyclopentadienyl)uranium oxide
| Conditions | Yield |
|---|---|
| In toluene (N2); addn. of a soln. of boron compd. in toluene to a soln. of uranium complex in toluene at room temp., stirring for 2 h; rvapn., extn. with pentane, filtration, concn., cooling to -20°C,filtration; elem. anal.; | A n/a B 83% |
- 110-86-1
pyridine
- 108-86-1
bromobenzene
- 109-63-7
boron trifluoride diethyl etherate
- 971-66-4
triphenylborane pyridine complex
| Conditions | Yield |
|---|---|
| Stage #1: bromobenzene; boron trifluoride diethyl etherate With magnesium In tetrahydrofuran Inert atmosphere; Reflux; Stage #2: pyridine In tetrahydrofuran at 40℃; for 3h; Inert atmosphere; | 75% |
| Conditions | Yield |
|---|---|
| With pyridine; water In tetrahydrofuran; diethyl ether to Sn compd. in THF added BH3 (B/Sn ratio 1/1) under N2 at room temp., stirred for 1 h, refluxed for 1h, cooled to room temp., added H2O, stirred for 30 min at room temp, extd. with Et2O, dried (MgSO4), heated with pentane, evapd., added Et2O and C5H5N; | 70% |
- 211381-81-6
(2,2,6,6-tetramethylpiperidino)2AlI(pyridine)
- 14637-35-5
silver tetraphenylborate
A
- 971-66-4
triphenylborane pyridine complex
| Conditions | Yield |
|---|---|
| In benzene byproducts: AgI; inert atmosphere, addn. of soln. of Al complex to suspension of borate at room temp., reflux (3 d); filtration, removement of volatiles (vacuum), extn. (toluene), crystn. (-78°C, overnight); elem. anal.; | A 39% B n/a |
| In toluene byproducts: AgI; inert atmosphere, addn. of soln. of Al complex to suspension of borate at room temp., reflux (3 d); filtration, removement of volatiles (vacuum), extn. (toluene)crystn. (-78°C, overnight); |
| Conditions | Yield |
|---|---|
| In chloroform at 65℃; for 1h; Inert atmosphere; | 30% |
| at 20℃; Equilibrium constant; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| In water at 20 - 45℃; for 0.5 - 1h; |
- 211381-81-6
(2,2,6,6-tetramethylpiperidino)2AlI(pyridine)
- 143-66-8
sodium tetraphenyl borate
A
- 971-66-4
triphenylborane pyridine complex
| Conditions | Yield |
|---|---|
| In toluene byproducts: AgI; inert atmosphere, addn. of soln. of Al complex to suspension of borate at room temp., 110°C (3 d); filtration, removement of volatiles (vacuum), extn. (toluene)crystn. (-78°C, overnight); |
| Conditions | Yield |
|---|---|
| With pyridine In 1,2-dimethoxyethane byproducts: C6H6; Irradiation (UV/VIS); under N2; photolysis; treating photolysate soln. with pyridine; Ph3B*pyridine was isolated; |
| Conditions | Yield |
|---|---|
| With pyridine In diethyl ether recrystn. from warm pyridine/ether; | |
| With pyridine In diethyl ether to soln. of BPh3 in Et2O added 1 equiv of pyridine under N2; |
Pyridine-triphenylborane Specification
This product is an organic compound with the formula C23H20BN. The systematic name of this chemical is pyridine - triphenylborane (1:1). With the CAS registry number 971-66-4, it is also named as Pyridine-triphenylborane complex. In addition, the molecular weight is 321.22.
The other characteristics of Pyridine-triphenylborane can be summarized as: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 6880; (6)ACD/BCF (pH 7.4): 6880; (7)ACD/KOC (pH 5.5): 19434; (8)ACD/KOC (pH 7.4): 19434; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89 Å2; (13)Flash Point: 161.1 °C; (14)Enthalpy of Vaporization: 56.89 kJ/mol; (15)Boiling Point: 348 °C at 760 mmHg; (16)Vapour Pressure: 0.000104 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:n1ccccc1.c3cc(B(c1ccccc1)c2ccccc2)ccc3
2. InChI:InChI=1/C18H15B.C5H5N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1/h1-15H;1-5H
3. InChIKey:WJSXSXUHWBSPEP-UHFFFAOYAI
4. Std. InChI:InChI=1S/C18H15B.C5H5N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1/h1-15H;1-5H
5. Std. InChIKey:WJSXSXUHWBSPEP-UHFFFAOYSA-N
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