Trioctylphosphine supplier | CasNO.4731-53-7

Name
TRI-N-OCTYLPHOSPHINE
EINECS 225-234-2
CAS No. 4731-53-7
Article Data20
CAS DataBase
Density 0.831g/mLat 25°C(lit.)
Solubility Immiscible with water.
Melting Point -60oC
Formula C₂₄H₅₁P
Boiling Point 445 °C at 760 mmHg
Molecular Weight 370.643
Flash Point 236 °C
Transport Information UN 1760 8/PG 2
Appearance clear liquid
Safety 26-36/37/39-45
Risk Codes 34-36/37/38
Molecular Structure
Hazard Symbols C, Xi
Synonyms NSC 102529;Tri-n-octylphosphine;
PSA 13.59000
LogP 9.54980

Synthetic route

: 24219-37-2
di-n-octylmagnesium

: 4731-53-7
TOP

Conditions

Conditions	Yield
With phosphorus trichloride; iron(III)-acetylacetonate In tetrahydrofuran; n-heptane for 0.5h; Heating;	85%
With phosphorus trichloride	84%

: 78-50-2
cyanex-921

: 4731-53-7
TOP

Conditions

Conditions	Yield
With pinacolboronic acid In acetonitrile at 100℃; for 120h; Inert atmosphere; Glovebox; Sealed tube; Schlenk technique;	57%
With 1,1,3,3-Tetramethyldisiloxane; titanium(IV) isopropylate In various solvent(s) at 100℃; for 10h;
With indium(III) bromide; 1,1,3,3-Tetramethyldisiloxane In toluene at 100℃; for 18h; Inert atmosphere; Sealed tube;

: 111-66-0
oct-1-ene

: 4731-53-7
TOP

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); phosphan at 80 - 100℃; for 6h;

: 62779-16-2
(Methoxycarbonylamino-methyl)-trioctyl-phosphonium; chloride

: 4731-53-7
TOP

Conditions

Conditions	Yield
With sodium methylate In methanol; diethyl ether

: 111-83-1
1-bromo-octane

: 4731-53-7
TOP

Conditions

Conditions	Yield
With iodine; magnesium; phosphorus trichloride 1.) ether, reflux, 15 min.; 2.) reflux, 96 h.; Yield given. Multistep reaction;

dichloro-trioctyl-phosphorane: dichloro-trioctyl-phosphorane

: 4731-53-7
TOP

Conditions

Conditions	Yield
With sodium

: 111-83-1
1-bromo-octane

sodium-compound of dioctyl phosphine: sodium-compound of dioctyl phosphine

: 4731-53-7
TOP

: lead(II) oleate

: 20612-73-1
trioctylphosphane selenide

A: lead(II) selenide

B: 4731-53-7
TOP

Conditions

Conditions	Yield
In further solvent(s) byproducts: tri-n-octylphosphine oxide, oleate anhydride; (C8H17)3PSe injected into soln. of Pb compd. in 1-octadecene; nanocrystals grown at 170°C over 40 min; monitored by (31)P NMR spectra;	A n/a B 0%

...Expand

: 4731-53-7
TOP

: 616-38-6
carbonic acid dimethyl ester

: 1204316-79-9
1,1,1-trioctyl-1-methylphosphonium methylcarbonate

Conditions

Conditions	Yield
In methanol at 140℃; for 20h; Inert atmosphere; Autoclave;	100%
In methanol at 140℃; for 24h; Inert atmosphere; Autoclave;	100%
In methanol at 150℃;	100%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 4731-53-7
TOP

: Ni(COD)(tri-n-octylphosphine)2

Conditions

Conditions	Yield
In toluene Ni complex reacted with 2 equiv. of tri-n-octylphosphine in toluene;	99%

: tetrakis(acetonitrile)copper(I)tetrafluoroborate

: 4731-53-7
TOP

: 1264748-06-2
6,6’-diformyl-3,3’-bipyridine

: 106-50-3
1,4-phenylenediamine

: ([(H2NC6H4NCH(C5H3N)(C5H3N)CHNC6H4NH2)][Cu(trioctylphosphine)2]2[B(fluoride)4]2)

Conditions

Conditions	Yield
In dimethyl sulfoxide byproducts: H2O; under inert atm. mixing (H2NC6H4)2, (CHOC5H3N)2, Cu complex, soln. of P compd. in DMSO, sealing, storage at 80°C (12 h);	99%

...Expand

: 7766-50-9
1-undecen-11-ylbromide

: 4731-53-7
TOP

: 1412455-62-9
trioctyl(undec-10-enyl)phosphonium bromide

Conditions

Conditions	Yield
In acetonitrile for 18h; Inert atmosphere; Schlenk technique; Reflux;	99%

: 4731-53-7
TOP

: 1592-20-7
4-Vinylbenzyl chloride

: trioctyl(4-vinylbenzyl)phosphonium chloride

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol In toluene at 20℃; for 48h; Inert atmosphere;	99%
With 2,6-di-tert-butyl-4-methyl-phenol In toluene at 20℃; for 48h; Inert atmosphere;

: 624-76-0
Iodoethanol

: 4731-53-7
TOP

: (2-hydroxyethyl)tri-n-octylphosphonium iodide

Conditions

Conditions	Yield
at 60℃; for 5h; Inert atmosphere;	99%

: 4731-53-7
TOP

: 78-50-2
cyanex-921

Conditions

Conditions	Yield
With fluorosulfonylchloride In dichloromethane for 1h; Ambient temperature;	98%
Stage #1: TOP With water; dihydrogen peroxide In toluene at 0 - 20℃; for 12h; Inert atmosphere; Stage #2: In toluene at 20℃; for 4h; Molecular sieve;	90%
In 1,2,4-trimethylbenzene at 25℃; for 1h; Inert atmosphere;
With selenium; octadec-1-ene

: 4731-53-7
TOP

: 3188-13-4
ethyl chloromethyl ether

: 1273586-10-9
tri-n-octylmethoxyethylphosphonium chloride

Conditions

Conditions	Yield
at 50℃; for 72h; Inert atmosphere;	97%

: 109-69-3
n-Butyl chloride

: 4731-53-7
TOP

: 56254-98-9
C28H60P(1+)*Cl(1-)

Conditions

Conditions	Yield
at 180℃; under 2250.23 Torr; for 0.5h; Microwave irradiation; Inert atmosphere; neat (no solvent);	97%

: 543-59-9
1-Chloropentane

: 4731-53-7
TOP

: 56155-23-8
C29H62P(1+)*Cl(1-)

Conditions

Conditions	Yield
at 145℃; for 12h; Inert atmosphere; neat (no solvent);	96%

: 111-85-3
1-Chlorooctane

: 4731-53-7
TOP

: 37165-84-7
tetraoctylphosphonium chloride

Conditions

Conditions	Yield
at 145℃; for 14h; Inert atmosphere; neat (no solvent);	96%
at 145℃; for 24h; Autoclave;

: 540-54-5
1-Chloropropane

: 4731-53-7
TOP

: 56155-22-7
C27H58P(1+)*Cl(1-)

Conditions

Conditions	Yield
at 180℃; under 2250.23 Torr; for 0.5h; Microwave irradiation; Inert atmosphere; neat (no solvent);	96%

: 4731-53-7
TOP

: 4-vinylbenzyl sultone

: 4-(trioctylphosphonio)-1-(4-vinylphenyl)butane-2-sulfonate

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol In toluene at 90℃; for 168h; Inert atmosphere;	96%

: 629-06-1
1-Chloroheptane

: 4731-53-7
TOP

: 1352944-92-3
C31H66P(1+)*Cl(1-)

Conditions

Conditions	Yield
at 145℃; for 14h; Inert atmosphere; neat (no solvent);	95%

: 2473-01-0
1-Chlorononane

: 4731-53-7
TOP

: 1352944-93-4
C33H70P(1+)*Cl(1-)

Conditions

Conditions	Yield
at 145℃; for 16h; Inert atmosphere; neat (no solvent);	95%

: 1002-69-3
decyl chloride

: 4731-53-7
TOP

: 1352944-94-5
C34H72P(1+)*Cl(1-)

Conditions

Conditions	Yield
at 145℃; for 16h; Inert atmosphere; neat (no solvent);	95%

: 4731-53-7
TOP

: 96-24-2
3-monochloro-1,2-propanediol

: 688763-75-9
trioctyl(2,3-dihydroxypropyl)phosphonium chloride

Conditions

Conditions	Yield
at 120℃; for 72h; Inert atmosphere; Neat (no solvent);	95%

: 75-00-3
chloroethane

: 4731-53-7
TOP

: ethyl-trioctylphosphonium chloride

Conditions

Conditions	Yield
at 140℃; under 3000.3 Torr; for 4.5h; Inert atmosphere; Autoclave; neat (no solvent);	94%

: 544-10-5
1-Chlorohexane

: 4731-53-7
TOP

: 56255-18-6
C30H64P(1+)*Cl(1-)

Conditions

Conditions	Yield
at 145℃; for 12h; Inert atmosphere; neat (no solvent);	94%

: 34331-40-3
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl methanesulfonate

: 4731-53-7
TOP

: 1353746-15-2
CH3O3S(1-)*C30H62O2P(1+)

Conditions

Conditions	Yield
at 120℃; for 72h; Inert atmosphere; Neat (no solvent);	93%

: 4731-53-7
TOP

: 4101-68-2
1,10-dibromodecane

: 53782-85-7
1,10-di(trioctylphosphonium bromide)decane

Conditions

Conditions	Yield
at 130℃; for 3h; Inert atmosphere; Glovebox; Microwave irradiation;	93%

: 74-87-3
methylene chloride

: 4731-53-7
TOP

: 35675-28-6
methyltrioctylphosphonium chloride

Conditions

Conditions	Yield
at 140℃; under 3000.3 Torr; for 2.5h; Inert atmosphere; Autoclave; neat (no solvent);	92%
at 100℃; for 12h; Autoclave;

: 4731-53-7
TOP

: 112-52-7
1-chlorododecane

: 1352944-95-6
trioctyl(dodecyl)phosphonium chloride

Conditions

Conditions	Yield
at 145℃; for 16h; Inert atmosphere; neat (no solvent);	92%

: 30515-28-7
7-bromoheptanoic acid

: 4731-53-7
TOP

: C31H64O2P(1+)*Br(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 48h;	92%

: 4731-53-7
TOP

: 57483-09-7
(3-iodopropyl)triethoxysilane

: trioctyl(3-(triethoxysilyl)propyl)phosphonium iodide

Conditions

Conditions	Yield
In toluene at 130℃; Inert atmosphere;	92%

: 4731-53-7
TOP

: 23737-51-1
solketal tosylate

: 1353746-17-4
C7H7O3S(1-)*C30H62O2P(1+)

Conditions

Conditions	Yield
at 120℃; for 48h; Inert atmosphere; Neat (no solvent);	91%

: 629-03-8
1 ,6-dibromohexane

: 4731-53-7
TOP

: 103554-07-0
1,6-di(trioctylphosphonium bromide)hexane

Conditions

Conditions	Yield
at 130℃; for 3h; Inert atmosphere; Glovebox; Microwave irradiation;	91%

: 4731-53-7
TOP

: 90224-27-4
octylphosphinous dibromide

Conditions

Conditions	Yield
With phosphorus tribromide at 200℃; for 5h;	90%
Multi-step reaction with 2 steps 1: 3 g / PBr3 / 6 h / Heating; nitrogen atmosphere 2: 83 percent / PBr3 / 5 h / 255 - 260 °C View Scheme

: 4731-53-7
TOP

: 2043-55-2
3,3,4,4,5,5,6,6,6-nonafluorohexyliodide

: C30H55PF9(1+)*I(1-)

Conditions

Conditions	Yield
at 20℃; for 48h;	90%
Inert atmosphere; Heating;

: 1120-71-4
1,3-propanesultone

: 4731-53-7
TOP

: C27H57O3PS

Conditions

Conditions	Yield
In toluene at 90℃; for 72h; Inert atmosphere;	90%

Trioctylphosphine Specification

The Phosphine, trioctyl-, with its CAS registry number 4731-53-7, has the IUPAC name of trioctylphosphane. For being sensitive to air, it has the product categories which are including Tertiary Phosphines; Mitsunobu Reaction; Phosphine Ligands; Phosphines (Mitsunobu Reaction); Synthetic Organic Chemistry; Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds.

The characteristics of this chemical are as below: (1)ACD/LogP: 11.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.98; (4)ACD/LogD (pH 7.4): 11.98; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 21; (8)Polar Surface Area: 13.59; (9)Flash Point: 236 °C; (10)Enthalpy of Vaporization: 67.59 kJ/mol; (11)Boiling Point: 445 °C at 760 mmHg; (12)Vapour Pressure: 1.07E-07 mmHg at 25°C; (13)Exact Mass: 370.372838; (14)MonoIsotopic Mass: 370.372838; (15)Heavy Atom Count: 25; (16)Complexity: 188; (17)Covalently-Bonded Unit Count: 1.

Production method of this chemical: Dioctylmagnesium could react to produce Phosphine, trioctyl-. This reaction happens in the presence of the reagent of PCl_3.

Use of this chemical: Phosphine, trioctyl- could react to produce dichloro-octyl-phosphine. This reaction could happen in the presence of the reagent of PCl_3.And it needs the reaction time of 1 hour and the reaction temperature of 275 ℃.

When you are dealing with this chemical, you should be more cautious. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes, and it is irritating to eyes, respiratory system and skin. For another thing, it is corrosive which may destroy living tissue on contact, and it may causes burns.

Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

In adddition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCCCCCP(CCCCCCCC)CCCCCCCC
(2)InChI: InChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-
15-12-9-6-3/h4-24H2,1-3H3
(3)InChIKey: RMZAYIKUYWXQPB-UHFFFAOYSA-N

Product Name

TRI-N-OCTYLPHOSPHINE

Synthetic route

Trioctylphosphine Specification

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