1,3,5-Triisopropylbenzene supplier

Name
1,3,5-Triisopropylbenzene
EINECS 211-941-3
CAS No. 717-74-8
Article Data63
CAS DataBase
Density 0.852 g/cm³
Solubility Immiscible with water.
Melting Point -14--11°C
Formula C₁₅H₂₄
Boiling Point 238.6 °C at 760 mmHg
Molecular Weight 204.356
Flash Point 86.7 °C
Transport Information
Appearance Clear colorless liquid
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1,3,5-triisopropyl- (7CI,8CI);1,3,5-Triisopropylbenzene;1,3,5-Tris(1-methylethyl)benzene;1,3,5-Tris(isopropyl)benzene;2,4,6-Triisopropylbenzene;NSC 403075;
PSA 0.00000
LogP 5.05680

Synthetic route

: 82965-03-5
2,4,6-triisopropyl-benzenesulfonic acid n-hexylester

A: 717-74-8
1,3,5-triisopropyl benzene

B: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With lithium amalgam In N,N-dimethyl-formamide; toluene Product distribution; Mechanism; further solvents;	A 100% B 100%

: 905244-84-0
N,N-dibenzyl-2,4,6-triisopropylbenzenesulfonamide

A: 717-74-8
1,3,5-triisopropyl benzene

B: 103-49-1
dibenzylamine

Conditions

Conditions	Yield
With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium In tetrahydrofuran at 50℃; Inert atmosphere;	A 99% B 93%

: 154549-38-9
2,4,6-triisopropylphenylboronic acid

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); water In toluene at 90℃; for 3h; Microwave irradiation; Green chemistry;	99%

: 75-26-3
isopropyl bromide

: 71-43-2
benzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
aluminium trichloride at 25℃; for 0.75h; Alkylation;	95%
With aluminum (III) chloride at -40 - 20℃; Inert atmosphere;

: 598-23-2
3-methyl-but-1-yne

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With indium(III) chloride; 2-Iodophenol In chlorobenzene for 24h; Reflux; regioselective reaction;	95%

: 21524-34-5
1-Bromo-2,4,6-triisopropylbenzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With ethanol; cobalt(II) tetrabutylporphyrin; potassium hydroxide at 150℃; for 6h; Inert atmosphere;	94%
With tributyl-amine; tetrabutylammonium tetrafluoroborate In acetonitrile at 20℃; for 1.8h; Inert atmosphere; Electrolysis;	84%
With potassium phosphate; palladium diacetate In methanol; benzene at 40℃; for 18h;	100 % Chromat.
With dimethyl(phenyl)silyllithium In tetrahydrofuran at 30℃; for 1h; Inert atmosphere;	72 %Spectr.
With potassium hydride; benzene at 150℃; for 21h; Temperature; Inert atmosphere; Sealed tube;	38 %Spectr.

: 18388-07-3
trimethyl(3-methylbut-1-yn-1-yl)silane

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In neat (no solvent) at 60 - 140℃; for 20h; Green chemistry; regioselective reaction;	86%

: 6553-96-4
2,4,6-triisopropylphenylsulfonyl chloride

A: 717-74-8
1,3,5-triisopropyl benzene

B: 22693-41-0
2,4,6-Triisopropylthiophenol

Conditions

Conditions	Yield
With hydrogenchloride; zinc	A n/a B 85%

: 598-23-2
3-methyl-but-1-yne

A: 717-74-8
1,3,5-triisopropyl benzene

B: 948-32-3
1,2,4-triisopropylbenzene

Conditions

Conditions	Yield
With 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene-Fe-N(SiMe3)2,6-diisopropylpheny In benzene-d6 at 20℃; for 2h;	A 80% B 10%

: 21524-34-5
1-Bromo-2,4,6-triisopropylbenzene

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

A: 4,4,5,5-tetramethyl-2-(2,4,6-triisopropylphenyl)-1,3,2-dioxaborolane

B: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With triethylamine; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 6h;	A 72% B n/a
With copper(l) iodide; iron(III)-acetylacetonate; N,N,N,N,-tetramethylethylenediamine; sodium hydride In tetrahydrofuran; mineral oil at -10℃; Inert atmosphere;	A 64% B n/a

...Expand

: 21521-51-7
2,4,6-tribromoiodobenzene

: 21524-34-5
1-Bromo-2,4,6-triisopropylbenzene

A: 717-74-8
1,3,5-triisopropyl benzene

B: 443295-47-4
5'-bromo-2,4,6,2'',4'',6''-hexaisopropyl-1,1:3',1''-terphenyl

Conditions

Conditions	Yield
Stage #1: 2,4,6-triisopropyl-1-bromobenzene With 1,2-dibrom-methane; magnesium In tetrahydrofuran for 3.5h; Heating; Stage #2: 2,4,6-tribromoiodobenzene In tetrahydrofuran for 5h; Heating; Further stages.;	A 117 g B 54%

...Expand

: 598-25-4
Dimethylallene

A: 823-94-9
2,4,6-trimethyl-s-triazine

B: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
electrolysis;	A n/a B 19.2%

: 100-18-5
1,4-bis(1-methylethyl)benzene

A: 98-82-8
Isopropylbenzene

B: 717-74-8
1,3,5-triisopropyl benzene

C: 99-62-7
1,3-diisopropylbenzene

D: 948-32-3
1,2,4-triisopropylbenzene

E: 577-55-9
1,2-diisopropylbenzene

Conditions

Conditions	Yield
at 199.99 - 234.99℃; under 36961.4 Torr; Product distribution / selectivity;	A 2.6% B 2.9% C 8.3% D 1.3% E 0.1%

...Expand

: 82965-03-5
2,4,6-triisopropyl-benzenesulfonic acid n-hexylester

A: 717-74-8
1,3,5-triisopropyl benzene

B: 18099-26-8
2,4,6-triisopropyl-benzenesulfinic acid

C: 111-27-3
hexan-1-ol

Conditions

Conditions	Yield
With lithium amalgam In 1,4-dioxane at 23℃; for 2h;	A 5% B n/a C 7%

...Expand

: 99-62-7
1,3-diisopropylbenzene

: 577-55-9
1,2-diisopropylbenzene

A: 98-82-8
Isopropylbenzene

B: 100-18-5
1,4-bis(1-methylethyl)benzene

C: 717-74-8
1,3,5-triisopropyl benzene

D: 948-32-3
1,2,4-triisopropylbenzene

Conditions

Conditions	Yield
at 199.99 - 234.99℃; under 36961.4 Torr; Product distribution / selectivity;	A 1% B 3.3% C 1.2% D 0.4%

...Expand

: 98-82-8
Isopropylbenzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With tetrafluoroboric acid
With tetrafluoroboric acid

: 948-32-3
1,2,4-triisopropylbenzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With aluminium trichloride at 60℃;
With aluminium trichloride at 26.85 - 119.85℃; Equilibrium constant; Thermodynamic data; Isomerization;

: 635-11-0
1,2,4,5-tetraisopropylbenzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With aluminium trichloride

: 19576-38-6
1,3,5-tri(2-hydroxyisopropyl)benzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With ethanol; copper oxide-chromium oxide at 225℃; under 110326 Torr; Hydrogenation;

: 187737-37-7
propene

: 71-43-2
benzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With sulfuric acid at 30 - 40℃;
With aluminium trichloride at 60℃;
With aluminium trichloride at 70℃;

: 75-29-6
isopropyl chloride

: 71-43-2
benzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With aluminium trichloride at 60℃; unter Stickstoff;
With aluminium trichloride at -10℃; Behandeln mit Wasser;

: 926-06-7
isopropyl methanesulfonate

: 71-43-2
benzene

: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
With methanesulfonic acid at 80 - 100℃;

: 98-82-8
Isopropylbenzene

: 201230-82-2
carbon monoxide

A: 100-18-5
1,4-bis(1-methylethyl)benzene

B: 717-74-8
1,3,5-triisopropyl benzene

C: 74598-75-7
2,5-di-isopropylbenzaldehyde

D: 122-03-2
(4-isopropylbenzaldehyde)

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid under 76000.1 Torr; for 3h; Ambient temperature;	A 2 % Chromat. B 7 % Chromat. C 31 % Chromat. D 32 % Chromat.
With trifluorormethanesulfonic acid under 76000.1 Torr; for 3h; Product distribution; Ambient temperature; formylation reaction is in competition with disproportionation;	A 2 % Chromat. B 7 % Chromat. C 31 % Chromat. D 32 % Chromat.

...Expand

: 98-82-8
Isopropylbenzene

A: 100-18-5
1,4-bis(1-methylethyl)benzene

B: 717-74-8
1,3,5-triisopropyl benzene

C: 74598-75-7
2,5-di-isopropylbenzaldehyde

D: 122-03-2
(4-isopropylbenzaldehyde)

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid; carbon monoxide under 76000.1 Torr; for 3h; Ambient temperature;	A 2 % Chromat. B 7 % Chromat. C 31 % Chromat. D 32 % Chromat.

...Expand

: 100-18-5
1,4-bis(1-methylethyl)benzene

A: 98-82-8
Isopropylbenzene

B: 717-74-8
1,3,5-triisopropyl benzene

Conditions

Conditions	Yield
zeolite (type 13 NaHX) In pentane; benzene at 260.1℃; under 18751.5 - 150012 Torr; Kinetics; Product distribution; catalyst deactiv. and reactiv. in dependence on pressure;

: C128H136O24*C15H24

A: 717-74-8
1,3,5-triisopropyl benzene

B: 152507-88-5
36,51-(epoxy<2,4>hexadiynoxy)-22,26:61,65-dimethano-2,56:19,31-dimetheno-3,55,18,32-(methynoxy<2,4>hexadiynoxymethyno)-1H,20H,28H,30H,57H,59H-bis<1,3>benzodioxocino<9,8-d:9',8'-d'>bis<1,3>benzodioxocino<9',10':19,20;10'',9'':29,30><1,3,6,13,16,18,21,28>

Conditions

Conditions	Yield
In chloroform-d1 at 25℃; Rate constant;

: 187737-37-7
propene

: 71-43-2
benzene

A: 98-82-8
Isopropylbenzene

B: 100-18-5
1,4-bis(1-methylethyl)benzene

C: 717-74-8
1,3,5-triisopropyl benzene

D: 99-62-7
1,3-diisopropylbenzene

E: 948-32-3
1,2,4-triisopropylbenzene

F: 577-55-9
1,2-diisopropylbenzene

Conditions

Conditions	Yield
aluminosilicate (15percent Al2O3) at 40℃; Product distribution; other catalysts (Ga, In, Mg, La silicates);	A 17.5 % Chromat. B 1.9 % Chromat. C 0.2 % Chromat. D n/a E 0.9 % Chromat. F n/a

...Expand

: 187737-37-7
propene

: 71-43-2
benzene

A: 98-82-8
Isopropylbenzene

B: 100-18-5
1,4-bis(1-methylethyl)benzene

C: 717-74-8
1,3,5-triisopropyl benzene

D: 99-62-7
1,3-diisopropylbenzene

E: 577-55-9
1,2-diisopropylbenzene

Conditions

Conditions	Yield
aluminosilicate at 70℃; Rate constant; Product distribution; effect of the composition and amount of catalysts, reaction time and temperature;
zeolite beta CP 786 catalyst at 132 - 133℃; under 15757.7 - 15809.5 Torr; Product distribution / selectivity;

...Expand

: 187737-37-7
propene

: 71-43-2
benzene

A: 98-82-8
Isopropylbenzene

B: 100-18-5
1,4-bis(1-methylethyl)benzene

C: 717-74-8
1,3,5-triisopropyl benzene

D: 948-32-3
1,2,4-triisopropylbenzene

E: 577-55-9
1,2-diisopropylbenzene

F: 2083-67-2
tris-(isopropyl)benzene

Conditions

Conditions	Yield
aluminosilicates at 39.9℃; under 75006 Torr; Product distribution; temperature, volume flow rate, molar ratio, nature of the catalyst;

...Expand

: 187737-37-7
propene

: 71-43-2
benzene

A: 98-82-8
Isopropylbenzene

B: 100-18-5
1,4-bis(1-methylethyl)benzene

C: 717-74-8
1,3,5-triisopropyl benzene

D: 577-55-9
1,2-diisopropylbenzene

Conditions

Conditions	Yield
at 313℃; under 75006 Torr; Further byproducts given. Title compound not separated from byproducts;

...Expand

: 717-74-8
1,3,5-triisopropyl benzene

: 1,3-dihydroxy-1H-1λ3-benzo[d][1,2]iodoxol-1-yl trifluoromethanesulfonate

: 2-carboxyphenyl(2,4,6-triisopropylphenyl)iodonium triflate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In dichloromethane at 20℃; for 24h; Inert atmosphere;	100%

: 717-74-8
1,3,5-triisopropyl benzene

: 2100-22-3
1-iodo-2,4,6-triisopropylbenzene

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; iodine In ethyl acetate at 60℃; for 16h;	99%
With [bis(acetoxy)iodo]benzene; iodine In ethyl acetate at 60℃; for 16h; Iodination;	99%
With iodine; 1-(p-methylbenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-one In 1,2-dichloro-ethane for 16h; Ambient temperature;	98%

: 717-74-8
1,3,5-triisopropyl benzene

: 34867-88-4
cyclopropane-1,1-dicarbonyl peroxide

: C20H28O4

Conditions

Conditions	Yield
With 1,1,1,3',3',3'-hexafluoro-propanol at 25℃; for 2h;	98%

: 625-35-4, 3488-22-0, 10487-71-5
trans-chrotonyl chloride

: 717-74-8
1,3,5-triisopropyl benzene

: 122968-43-8
(E)-1-(2,4,6-triisopropylphenyl)-2-buten-1-one

Conditions

Conditions	Yield
With aluminium trichloride In carbon disulfide Heating;	95%

: 462-06-6
fluorobenzene

: 717-74-8
1,3,5-triisopropyl benzene

: 16523-54-9
chlorodicyclohexylphosphane

: 564483-18-7
XPhos

Conditions

Conditions	Yield
Stage #1: fluorobenzene With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 2h; Inert atmosphere; Stage #2: chlorodicyclohexylphosphane In tetrahydrofuran at 15℃; for 10h; Stage #3: 1,3,5-triisopropyl benzene With n-butyllithium; potassium tert-butylate In hexane at 30 - 60℃; for 16h; Reagent/catalyst; Temperature;	93%

...Expand

: 717-74-8
1,3,5-triisopropyl benzene

: 6553-96-4
2,4,6-triisopropylphenylsulfonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid In chloroform at 0℃;	92%
With chlorosulfonic acid In chloroform 1.) 0 deg C, 30 min, 2.) 1 h, room temp.;	85%
With chlorosulfonic acid; sodium chloride In tetrachloromethane; hexane; chloroform at 0℃;	65%

: 717-74-8
1,3,5-triisopropyl benzene

: 55538-62-0
1-chloro-2,4,6-tri(iso-propyl)benzene

Conditions

Conditions	Yield
With chloro-trimethyl-silane; bis-[(trifluoroacetoxy)iodo]benzene In dichloromethane at 20℃; for 18h; Reagent/catalyst; Inert atmosphere;	92%
With 1-(p-methylbenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-one; lithium chloride In acetonitrile for 18h; Ambient temperature;	84%
With 1-(p-toluenebenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-on; lithium chloride In acetonitrile for 16h; Product distribution; Ambient temperature; other reagents (trivalent iodine compounds + LiCl or Bu4NCl);	84%
With 1-(p-methylbenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-one; lithium chloride In acetonitrile for 16h; Ambient temperature;	84%
With N-chloro-succinimide; triphenylphosphine sulfide In chloroform-d1 at 20℃; for 3h;	57 %Spectr.

: 10486-61-0
3-thienyl iodide

: 717-74-8
1,3,5-triisopropyl benzene

: tetrafluoroboric acid

: thiophen-3-yl(2,4,6-triisopropylphenyl)iodonium tetrafluoroborate

Conditions

Conditions	Yield
Stage #1: 3-thienyl iodide; 1,3,5-triisopropyl benzene With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 2h; Stage #2: tetrafluoroboric acid In dichloromethane at 0 - 20℃; for 2h;	89%

...Expand

: 717-74-8
1,3,5-triisopropyl benzene

Pd(dtbpf)Cl2: Pd(dtbpf)Cl2

: 5720-07-0
4-methoxyphenylboronic acid

: 4-methoxy-2',4',6'-tri-isopropylbiphenyl

Conditions

Conditions	Yield
With triethylamine In water	88%

...Expand

: 717-74-8
1,3,5-triisopropyl benzene

: N-(benzenesulfonyl)-N-[(trifluoromethyl)sulfanyl]benzenesulfonamide

: (trifluoromethyl)(2,4,6-triisopropylphenyl)thioether

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In dichloromethane at 40℃; for 36h; Schlenk technique; Inert atmosphere;	87%

: 717-74-8
1,3,5-triisopropyl benzene

: 4885-02-3
Dichloromethyl methyl ether

: 24249-82-9
2,4,6-triisopropylbenzaldehyde

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane for 12h;	86%
With titanium tetrachloride In dichloromethane Ambient temperature;	80%
With silver trifluoromethanesulfonate In dichloromethane at -78℃; for 0.333333h; Inert atmosphere;	72%
With titanium tetrachloride Multistep reaction;
With titanium tetrachloride Inert atmosphere;

: 1493-13-6
trifluorormethanesulfonic acid

: 717-74-8
1,3,5-triisopropyl benzene

: 3240-34-4
[bis(acetoxy)iodo]benzene

: 312727-69-8
phenyl(2,4,6-triisopropylphenyl)iodonium trifluoromethanesulfonate

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 2h;	86%

...Expand

: 1493-13-6
trifluorormethanesulfonic acid

: 717-74-8
1,3,5-triisopropyl benzene

: pentafluoro(2-iodophenyl)-λ6-sulfane

: (2-(pentafluoro-λ6-sulfanyl)phenyl)(2,4,6-triisopropylphenyl)iodonium trifluoromethanesulfonate

Conditions

Conditions	Yield
Stage #1: trifluorormethanesulfonic acid; pentafluoro(2-iodophenyl)-λ6-sulfane With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere; Stage #2: 1,3,5-triisopropyl benzene In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere;	86%

...Expand

: 717-74-8
1,3,5-triisopropyl benzene

: 1711-06-4
3-Methylbenzoyl chloride

: 96825-45-5
m-Tolyl-(2,4,6-triisopropyl-phenyl)-methanone

Conditions

Conditions	Yield
With aluminium trichloride In carbon disulfide for 12h; Ambient temperature;	85%

1,3,5-Triisopropylbenzene Specification

The Benzene,1,3,5-tris(1-methylethyl)-, with CAS registry number 717-74-8, belongs to the following product categories: (1)Aromatic Hydrocarbons (substituted) & Derivatives; (2)Arenes; (3)Building Blocks; (4)Organic Building Blocks. It has the systematic name of 1,3,5-tri(propan-2-yl)benzene. This chemical is a kind of clear colorless liquid. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

Physical properties of Benzene,1,3,5-tris(1-methylethyl)-: (1)ACD/LogP: 6.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.23; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 32240.79; (6)ACD/BCF (pH 7.4): 32240.79; (7)ACD/KOC (pH 5.5): 58708.45; (8)ACD/KOC (pH 7.4): 58708.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 68.8 cm³; (15)Molar Volume: 239.6 cm³; (16)Polarizability: 27.27×10^-24cm³; (17)Surface Tension: 28.2 dyne/cm; (18)Enthalpy of Vaporization: 45.61 kJ/mol; (19)Vapour Pressure: 0.0649 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce 2,4,6-triisopropyl-benzenesulfonyl chloride. This reaction will need reagents tetrachloromethane, chlorosulfuric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(cc1C(C)C)C(C)C)C(C)C
(2)InChI: InChI=1/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
(3)InChIKey: VUMCUSHVMYIRMB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
(5)Std. InChIKey: VUMCUSHVMYIRMB-UHFFFAOYSA-N

Product Name

1,3,5-Triisopropylbenzene

Synthetic route

1,3,5-Triisopropylbenzene Specification

Related Products

Hot Products