CAS No.971-66-4,Pyridine-triphenylborane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	971-66-4
Name:	Pyridine-triphenylborane
Article Data:	9

Formula:	C₂₃H₂₀BN
Molecular Weight:	321.229
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;
Melting Point:	214-215 °C (decomp)
Boiling Point:	348 °C at 760 mmHg
Flash Point:	161.1 °C
PSA:	8.39000
LogP:	3.28440

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

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%

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%

...Expand

: 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

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%

...Expand

: 110-86-1
pyridine

: 108-86-1
bromobenzene

: 109-63-7
boron trifluoride diethyl etherate

: 971-66-4
triphenylborane pyridine complex

Conditions

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%

...Expand

: 13283-31-3
borane

: 639-58-7
triphenyltin chloride

: 971-66-4
triphenylborane pyridine complex

Conditions

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

B: bis(2,2,6,6-tetramethylpiperidino)phenylaluminium

Conditions

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);

...Expand

: 110-86-1
pyridine

: 960-71-4
triphenylborane

: 971-66-4
triphenylborane pyridine complex

Conditions

Conditions	Yield
In chloroform at 65℃; for 1h; Inert atmosphere;	30%
at 20℃; Equilibrium constant; Inert atmosphere;

: 110-86-1
pyridine

: sodium hydroxide adduct of triphenylboron

: 971-66-4
triphenylborane pyridine complex

Conditions

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

B: bis(2,2,6,6-tetramethylpiperidino)phenylaluminium

Conditions

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);

...Expand

: 143-66-8
sodium tetraphenyl borate

: 971-66-4
triphenylborane pyridine complex

Conditions

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;

: 960-71-4
triphenylborane

: 971-66-4
triphenylborane pyridine complex

Conditions

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;

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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