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CAS No.: | 717-74-8 |
---|---|
Name: | 1,3,5-Triisopropylbenzene |
Article Data: | 63 |
Molecular Structure: | |
Formula: | C15H24 |
Molecular Weight: | 204.356 |
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; |
EINECS: | 211-941-3 |
Density: | 0.852 g/cm3 |
Melting Point: | -14--11°C |
Boiling Point: | 238.6 °C at 760 mmHg |
Flash Point: | 86.7 °C |
Solubility: | Immiscible with water. |
Appearance: | Clear colorless liquid |
Safety: | 23-24/25 |
PSA: | 0.00000 |
LogP: | 5.05680 |
2,4,6-triisopropyl-benzenesulfonic acid n-hexylester
A
1,3,5-triisopropyl benzene
B
hexan-1-ol
Conditions | Yield |
---|---|
With lithium amalgam In N,N-dimethyl-formamide; toluene Product distribution; Mechanism; further solvents; | A 100% B 100% |
N,N-dibenzyl-2,4,6-triisopropylbenzenesulfonamide
A
1,3,5-triisopropyl benzene
B
dibenzylamine
Conditions | Yield |
---|---|
With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium In tetrahydrofuran at 50℃; Inert atmosphere; | A 99% B 93% |
2,4,6-triisopropylphenylboronic acid
1,3,5-triisopropyl benzene
Conditions | Yield |
---|---|
With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); water In toluene at 90℃; for 3h; Microwave irradiation; Green chemistry; | 99% |
Conditions | Yield |
---|---|
aluminium trichloride at 25℃; for 0.75h; Alkylation; | 95% |
With aluminum (III) chloride at -40 - 20℃; Inert atmosphere; |
Conditions | Yield |
---|---|
With indium(III) chloride; 2-Iodophenol In chlorobenzene for 24h; Reflux; regioselective reaction; | 95% |
1-Bromo-2,4,6-triisopropylbenzene
1,3,5-triisopropyl benzene
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. |
trimethyl(3-methylbut-1-yn-1-yl)silane
1,3,5-triisopropyl benzene
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In neat (no solvent) at 60 - 140℃; for 20h; Green chemistry; regioselective reaction; | 86% |
2,4,6-triisopropylphenylsulfonyl chloride
A
1,3,5-triisopropyl benzene
B
2,4,6-Triisopropylthiophenol
Conditions | Yield |
---|---|
With hydrogenchloride; zinc | A n/a B 85% |
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% |
1-Bromo-2,4,6-triisopropylbenzene
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
B
1,3,5-triisopropyl benzene
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 |
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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