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13716-12-6

Basic Information
CAS No.: 13716-12-6
Name: Tri-tert-butylphosphine
Article Data: 24
Molecular Structure:
Molecular Structure of 13716-12-6 (Tri-tert-butylphosphine)
Formula: C12H27P
Molecular Weight: 202.32
Synonyms: Phosphine,tri-tert-butyl- (7CI,8CI);Tris(1,1-dimethylethyl)phosphine;Tris(tert-butyl)phosphine;
EINECS: 237-266-4
Density: 0.861 g/mL at 25 °C
Melting Point: 30-35 °C(lit.)
Boiling Point: 229.4 °C at 760 mmHg
Flash Point: 94.6 °C
Solubility: insoluble
Appearance: Colorless to light yellow liquid
Hazard Symbols: FlammableF,CorrosiveC
Risk Codes: 17-34-67-65-63-48/20-11
Safety: 26-45-62-36/37/39-25-43-27-16
Transport Information: UN 2846 4.2/PG 1
PSA: 13.59000
LogP: 4.86380
Synthetic route
507-19-7

t-butyl bromide

13716-12-6

tri-tert-butyl phosphine

Conditions
ConditionsYield
With calcium phosphide; nickel(II) acetylacetonate In tetrahydrofuran at 70℃; for 10h; Temperature; Inert atmosphere;95%
13716-10-4

di(tert-butyl)chlorophosphine

677-22-5

tert-butylmagnesium chloride

13716-12-6

tri-tert-butyl phosphine

Conditions
ConditionsYield
copper(l) chloride In tetrahydrofuran at 20 - 40℃; for 4h;90.2%
copper(l) chloride In tetrahydrofuran at 20 - 40℃; for 4h; Quantum yield;54.4%
copper(l) chloride In tetrahydrofuran at 20℃; for 11h; Conversion of starting material; Heating / reflux;
677-22-5

tert-butylmagnesium chloride

7719-12-2, 52843-90-0

phosphorus trichloride

13716-12-6

tri-tert-butyl phosphine

Conditions
ConditionsYield
With lithium bromide; copper(l) iodide In diethyl ether; hexane at -20 - 20℃; for 4h;88.3%
60648-70-6

bis(tri-tert-butylphosphine)platinum(0)

849926-75-6, 773895-85-5

bis(pentamethylcyclopentadienyl)dizinc

A

13716-12-6

tri-tert-butyl phosphine

B

Pt(Zn(pentamethylcyclopentadienyl))6

Conditions
ConditionsYield
In benzene at 25℃; for 0.333333h; Schlenk technique; Glovebox; Inert atmosphere;A n/a
B 30%
677-22-5

tert-butylmagnesium chloride

13716-12-6

tri-tert-butyl phosphine

Conditions
ConditionsYield
With phosphorus trichloride
13716-10-4

di(tert-butyl)chlorophosphine

594-19-4

tert.-butyl lithium

13716-12-6

tri-tert-butyl phosphine

Conditions
ConditionsYield
In pentane
60483-74-1

Tri-tert-butylphosphantellurid

39760-34-4

tertiary butyl arsine

A

13716-12-6

tri-tert-butyl phosphine

B

telluro-tri-t-butylarsorane

Conditions
ConditionsYield
In benzene
594-19-4

tert.-butyl lithium

tri(t-butyl)(methyltelluro)phosphoniumiodid

A

13716-12-6

tri-tert-butyl phosphine

B

83817-35-0

di-tert-butyl-tellurium

93646-62-9

2,2',3,3'-Tetra-tert-butyl-1,1'-bicyclotriphosphan

A

13716-12-6

tri-tert-butyl phosphine

B

79593-41-2

2,3,4,6-tetra-tert-butylbicyclo<3.1.0>hexaphosphane

C

77256-90-7, 145678-98-4

2,2',3,3',4,4'-hexa-tert-butyl-1,1'-bicyclotetraphosphane

Conditions
ConditionsYield
at 128℃;
6002-40-0

methyldi-t-butylphosphine

C32H12BF24(1-)*C12H27P*H(1+)

A

13716-12-6

tri-tert-butyl phosphine

B

C32H12BF24(1-)*C9H21P*H(1+)

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; Equilibrium constant;
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Specification

The Tri-tert-butylphosphine, with the CAS registry number 13716-12-6, is also known as tri-t-Butylphosphine. It belongs to the product categories of Phosphines; Pharmacetical; Ligand; API intermediates; Mitsunobu Reaction; Phosphine Ligands; Phosphines (Mitsunobu Reaction); Synthetic Organic Chemistry; Basic Phosphine Ligands Catalysis and Inorganic Chemistry; Catalysis and Inorganic Chemistry; Cross-Coupling; Phosphine Ligands; Phosphorus Compounds. Its EINECS registry number is 237-266-4. This chemical's molecular formula is C12H27P and molecular weight is 202.32. Its IUPAC name is called tritert-butylphosphane.

Physical properties of Tri-tert-butylphosphine: (1)ACD/LogP: 4.50; (2)ACD/LogD (pH 5.5): 4.5; (3)ACD/LogD (pH 7.4): 4.5; (4)ACD/BCF (pH 5.5): 1555.62; (5)ACD/BCF (pH 7.4): 1555.62; (6)ACD/KOC (pH 5.5): 6704.43; (7)ACD/KOC (pH 7.4): 6704.43; (8)#Freely Rotating Bonds: 3; (9)Flash Point: 94.6 °C; (10)Enthalpy of Vaporization: 44.71 kJ/mol; (11)Boiling Point: 229.4 °C at 760 mmHg; (12)Vapour Pressure: 0.105 mmHg at 25°C.

Uses of Tri-tert-butylphosphine: it can be used to produce Difluoro(tri-t-butyl)phosphoran. This reaction will need reagent SbF3.

Tri-tert-butylphosphine can be used to produce Difluoro(tri-t-butyl)phosphoran

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3
(3)InChIKey: BWHDROKFUHTORW-UHFFFAOYSA-N