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1,3,5-Triisopropylbenzene
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Name

1,3,5-Triisopropylbenzene

 EINECS 211-941-3
CAS No. 717-74-8 Density 0.852 g/cm3
PSA 0.00000 LogP 5.05680
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 N/A Appearance Clear colorless liquid
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 717-74-8 (1,3,5-Triisopropylbenzene) Hazard Symbols N/A
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;

Article Data 63

1,3,5-Triisopropylbenzene 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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrogenchloride; zincA 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
ConditionsYield
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
ConditionsYield
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

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

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