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Cas Database

Name	Tricyclohexyl phosphine	EINECS	220-069-2
CAS No.	2622-14-2	Density	0.909 g/mL at 25 °C
PSA	13.59000	LogP	6.46640
Solubility	Soluble in most organic solvents. Insoluble in water.	Melting Point	81-83 °C(lit.)
Formula	C₁₈H₃₃P	Boiling Point	383.434 °C at 760 mmHg
Molecular Weight	280.434	Flash Point	195.609 °C
Transport Information	UN 2056 3/PG 2	Appearance	white to yellow crystalline powder
Safety	26-36/37-62-37/39-36-33-29-16	Risk Codes	36/37/38-22-37/38-36-19-11-67-65-63
Molecular Structure		Hazard Symbols	Xn,Xi,F
Synonyms	Phosphine,tricyclohexyl-;Tricyclohexylphosphine;tricyclohexylphosphine);	Article Data	55

Tricyclohexyl phosphine Synthetic route

: 110-86-1
pyridine

: RuCl2(PCy3)2(=13CH2)

A: RuCl2(13CH2PCy3)(py)3

B: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
In benzene-d6 at 20℃; for 0.166667h; Inert atmosphere; Glovebox;	A 95% B n/a

: PCy3*BH3

: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
With methanol; 4 A molecular sieve In 1,4-dioxane at 115℃; for 42h;	92%

: tricyclohexylphosphonium chloride

: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
With sodium hydroxide In water Product distribution / selectivity;	90%

: RuCl2(H2IMes)(PCy3)(=13CH2)

A: C18(13)CH36P(1+)*Cl(1-)

B: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
With pyridine In benzene-d6 at 25℃; Inert atmosphere; Glovebox;	A 87% B 13%

: 13689-19-5
tricyclohexylphosphine oxide

: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
With Bis(p-nitrophenyl) phosphate; 1,3-diphenyl-disiloxane In ethyl acetate at 23℃; for 70h; Sealed tube; chemoselective reaction;	84%
Stage #1: tricyclohexylphosphine oxide With triphenyl phosphite; diphenyl hydrogen phosphite; iodine; triethylamine In tetrahydrofuran at 25℃; for 63h; Inert atmosphere; Schlenk technique; Stage #2: With sodium hydroxide In water for 0.5h; Glovebox;	82%
With bis(2-chlorophenyl)borinic acid; phenylsilane In toluene at 80℃; for 36h; Inert atmosphere;	78%

: 112792-41-3
ICo(CO)2(P(C6H11)3)2

: 6591-07-7
diphenylphosphane sulfide

: 7087-68-5
N-ethyl-N,N-diisopropylamine

A: N,N-diisopropylethylamine hydroiodide

B: 112792-50-4
dicarbonyl(η2-diphenylthiophosphinito)(tricyclohexylphosphane)cobalt(I)

C: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of soln. of amine in toluene to a part of soln. of Co compound in toluene at 25°C, addn. of the rest of this soln. together with (C6H5)2HPS during 2 h, 15 h; decantation, evapn. of solvent in vac., residue dissolved in n-hexane, filtration of ((Et)(i-Pr)2NH)I and excess ICo(CO)2(P(C6H11)3)2, crystn. at -5°C, recrystn. from n-hexane at -5°C; elem. anal.;	A n/a B 71% C n/a

Yield

In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of soln. of amine in toluene to a part of soln. of Co compound in toluene at 25°C, addn. of the rest of this soln. together with (C6H5)2HPS during 2 h, 15 h; decantation, evapn. of solvent in vac., residue dissolved in n-hexane, filtration of ((Et)(i-Pr)2NH)I and excess ICo(CO)2(P(C6H11)3)2, crystn. at -5°C, recrystn. from n-hexane at -5°C; elem. anal.;

A n/a
B 71%
C n/a

...Expand

: 55664-33-0
bis(tricyclohexylphosphine)platinum(0)

: [(OC)3Fe(BDur){BN(SiMe3)2}]

A: 1449520-96-0
[(OC)3Fe{μ-BN(SiMe3)2}(μ-BDur)Pt(PCy3)]

B: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
In hexane Inert atmosphere; Schlenk technique; Glovebox;	A 71% B n/a

: 6591-06-6
diethylphosphine sulfide

: 112792-41-3
ICo(CO)2(P(C6H11)3)2

: 7087-68-5
N-ethyl-N,N-diisopropylamine

A: N,N-diisopropylethylamine hydroiodide

: 112792-45-7
dicarbonyl(η2-diethylthiophosphinito)(tricyclohexylphosphane)cobalt(I)

C: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of soln. of amine in toluene to a part of soln. of Co compound in toluene at 25°C, addn. of the rest of this soln. together with (C2H5)2HPS during 2 h, 15 h; decantation, evapn. of solvent in vac., residue dissolved in n-hexane, filtration of ((Et)(i-Pr)2NH)I and excess ICo(CO)2(P(C6H11)3)2, crystn. at -5°C, recrystn. from n-hexane at -5°C; elem. anal.;	A n/a B 65% C n/a

Yield

In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of soln. of amine in toluene to a part of soln. of Co compound in toluene at 25°C, addn. of the rest of this soln. together with (C2H5)2HPS during 2 h, 15 h; decantation, evapn. of solvent in vac., residue dissolved in n-hexane, filtration of ((Et)(i-Pr)2NH)I and excess ICo(CO)2(P(C6H11)3)2, crystn. at -5°C, recrystn. from n-hexane at -5°C; elem. anal.;

A n/a
B 65%
C n/a

...Expand

: 112792-41-3
ICo(CO)2(P(C6H11)3)2

: 6591-05-5
dimethylphosphine sulfide

: 7087-68-5
N-ethyl-N,N-diisopropylamine

A: N,N-diisopropylethylamine hydroiodide

B: oligomeric dicarbonyl(μ-dimethylthiophosphinito-P,S)(tricyclohexylphosphane)cobalt(I)

C: 112792-43-5
dicarbonyl(η2-dimethylthiophosphinito)(tricyclohexylphosphane)cobalt(I)

D: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of Me2HPS to a soln. of Co compound in toluene and dropwise addn. of (Et)(i-Pr)2N in toluene at 25°C during 2 h, 8 h; decantation, concd. in vac., addn. of n-hexane, decantation, cooled to -30°C, filtration of pptn., suspension in toluene, filtration (polymeric product), addn. of hexane to the filtrate, crystn. at -30°C; elem. anal.;	A n/a B n/a C 46% D n/a

Yield

In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of Me2HPS to a soln. of Co compound in toluene and dropwise addn. of (Et)(i-Pr)2N in toluene at 25°C during 2 h, 8 h; decantation, concd. in vac., addn. of n-hexane, decantation, cooled to -30°C, filtration of pptn., suspension in toluene, filtration (polymeric product), addn. of hexane to the filtrate, crystn. at -30°C; elem. anal.;

A n/a
B n/a
C 46%
D n/a

...Expand

: 112792-41-3
ICo(CO)2(P(C6H11)3)2

: 14610-03-8
di(yclohexyl)phosphine sulfide

: 7087-68-5
N-ethyl-N,N-diisopropylamine

A: N,N-diisopropylethylamine hydroiodide

B: 112792-48-0
dicarbonyl(η2-dicyclohexylthiophosphinito)(tricyclohexylphosphane)cobalt(I)

C: 2622-14-2
tricyclohexylphosphine

Conditions

Conditions	Yield
In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of soln. of amine in toluene to a part of soln. of Co compound in toluene at 25°C, addn. of the rest of this soln. together with (C6H11)2HPS during 2 h, 15 h; decantation, evapn. of solvent in vac., residue dissolved in n-hexane, filtration of ((Et)(i-Pr)2NH)I and excess ICo(CO)2(P(C6H11)3)2, crystn. at -5°C, recrystn. from n-hexane at -5°C; elem. anal.;	A n/a B 37% C n/a

Yield

In toluene under N2 or Ar, exclusion of oxygen and moisture, addn. of soln. of amine in toluene to a part of soln. of Co compound in toluene at 25°C, addn. of the rest of this soln. together with (C6H11)2HPS during 2 h, 15 h; decantation, evapn. of solvent in vac., residue dissolved in n-hexane, filtration of ((Et)(i-Pr)2NH)I and excess ICo(CO)2(P(C6H11)3)2, crystn. at -5°C, recrystn. from n-hexane at -5°C; elem. anal.;

A n/a
B 37%
C n/a

...Expand

Tricyclohexyl phosphine Specification

The Tricyclohexyl phosphine, with the CAS registry number 2622-14-2,is also known as Phosphine,tricyclohexyl-. It belongs to the product categories of organophosphorus ligand;organophosphine ligand.Its EINECS number is 220-069-2. This chemical's molecular formula is C₁₈H₃₃P and molecular weight is 280.43. What's more,Its systematic name is Tricyclohexyl phosphine.It is a clear colorless to pale yellow solution.

Physical properties about Tricyclohexyl phosphine are:
(1)ACD/LogP: 6.352; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.35; (4)ACD/LogD (pH 7.4): 6.35; (5)ACD/BCF (pH 5.5): 39568.81; (6)ACD/BCF (pH 7.4): 39568.81; (7)ACD/KOC (pH 5.5): 67978.00; (8)ACD/KOC (pH 7.4): 67978.00; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 195.609 °C; (13)Enthalpy of Vaporization: 60.723 kJ/mol; (14)Boiling Point: 383.434 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:C1CCC(CC1)P(C2CCCCC2)C3CCCCC3;
(2)Std. InChI:InChI=1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2;
(3)Std. InChIKey:WLPUWLXVBWGYMZ-UHFFFAOYSA-N.

Safety Information of Tricyclohexyl phosphine:
The Tricyclohexyl phosphine is Irritating to eyes, respiratory system and skin. It May form explosive peroxides and its Vapours may cause drowsiness and dizziness.And it may cause lung damage if swallowed. There is possible risk of harm to the unborn child.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. Take precautionary measures against static discharges. This chemical is highly flammable,keep away from sources of ignition.

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