Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In dichloromethane under 3750.38 Torr; for 19h; | 88% |
2,6-diisopropylbenzenamine
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With n-Butyl nitrite at 60℃; for 5h; | 82% |
Multi-step reaction with 2 steps 1.1: hydrogenchloride; sodium nitrite / water; ethanol / 1 h / 0 °C / Inert atmosphere 1.2: 0.83 h / Inert atmosphere; Reflux 2.1: C52H49PRu; potassium phosphate monohydrate; bis(dibenzylideneacetone)-palladium(0); Ethyl 4-bromobenzoate / 1,4-dioxane / 4 h / 100 °C / Inert atmosphere View Scheme |
2,6-di(isopropyl)-N-methyleneaniline
A
1,3-diisopropylbenzene
B
2,6-diisopropylbenzenamine
Conditions | Yield |
---|---|
With n-Butyl nitrite at 40℃; for 20h; | A 70% B n/a |
2-isopropoxyphenylboronic acid
A
1,3-diisopropylbenzene
B
2,2′-diisopropoxybiphenyl
C
2,6-diisopropyl-2'-isopropoxybiphenyl
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere; | A 5% B 13% C 69% |
2-Methylphenylboronic acid
A
1,3-diisopropylbenzene
B
2,2'-dimethyl-1,1'-biphenyl
C
2,6-diisopropyl-2'-methylbiphenyl
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere; | A 14% B 27% C 64% |
n-Butyl nitrite
2,6-diisopropylbenzenamine
A
1,3-diisopropylbenzene
B
2-Butoxy-1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With tetrachloromethane for 5h; | A n/a B 10% C 58% |
2,6-diisopropylbenzenamine
A
1,3-diisopropylbenzene
B
2-Butoxy-1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With tetrachloromethane; n-Butyl nitrite for 5h; | A n/a B 10% C 58% |
A
1-methoxy-1,2,2-tris(diisopropylphenyl)germane
B
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With methanol In 1,2-dimethoxyethane under protective gas, MeOH is vac.-transfered at -78°C to suspn. of Ge compd. in DME, warming to 20°C; evapn., crystn. (hexane) yields Ge compd.; | A 54% B n/a |
2,6-diisopropylbenzenamine
copper(I) cyanide
A
1,3-diisopropylbenzene
B
1,3-diisopropyl-2-nitrobenzene
C
2,6-diisopropylphenyl isocyanide
Conditions | Yield |
---|---|
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; | A 13% B 9% C 52% D n/a |
2,6-diisopropylbenzenamine
A
1,3-diisopropylbenzene
B
1,3-diisopropyl-2-nitrobenzene
C
2,6-diisopropylphenyl isocyanide
Conditions | Yield |
---|---|
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; | A 13% B 9% C 52% D n/a |
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; Title compound not separated from byproducts; | A 13% B 9% C 52% D n/a |
2-Biphenylboronic acid
A
1,3-diisopropylbenzene
B
2,2'-diphenylbiphenyl
C
2,6-diisopropyl-2'-phenylbiphenyl
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 17.5h; Suzuki-Miyaura Coupling; Inert atmosphere; | A 11% B 39% C 38% |
2-ethylphenyl boronic acid
A
1,3-diisopropylbenzene
B
1,1'-Biphenyl, 2,2'-diethyl
C
2,6-diisopropyl-2'-ethylbiphenyl
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere; | A 8% B 22% C 31% |
2-isopropylphenylboronic acid
A
1,3-diisopropylbenzene
B
2,2’-diisopropylbiphenyl
C
2,2',6-trisopropylbiphenyl
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4.5h; Suzuki-Miyaura Coupling; Inert atmosphere; | A 12% B 14% C 27% |
2,6-di(isopropyl)-N-methyleneaniline
A
1,3-diisopropylbenzene
B
2,6-diisopropylbenzenamine
Conditions | Yield |
---|---|
With n-Butyl nitrite; dichloromethane at 40℃; for 20h; Product distribution; other time, other temp., also with CCl4; | A 25% B n/a C 25% |
2,6-di(isopropyl)-N-methyleneaniline
A
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With n-Butyl nitrite; dichloromethane at 40℃; for 20h; | A 25% B 25% |
propene
benzene
A
Isopropylbenzene
B
1,4-bis(1-methylethyl)benzene
C
ethylbenzene
D
1,3-diisopropylbenzene
E
toluene
Conditions | Yield |
---|---|
A-45 zeolite at 200℃; Product distribution; Rate constant; Mechanism; var. ratio of reactants, oth. temperature, effect of size of catalyst particles; | A 14.7% B 0.5% C 2.1% D 1.1% E 0.4% |
(Z)-2-Butene
propene
propane
benzene
A
Isopropylbenzene
B
1,4-bis(1-methylethyl)benzene
C
1,3-diisopropylbenzene
D
1,2-diisopropylbenzene
Conditions | Yield |
---|---|
specimen (II) at 40℃; Product distribution; | A 14.6% B 1.7% C n/a D n/a |
(Z)-2-Butene
propene
propane
benzene
A
Isopropylbenzene
B
1,4-bis(1-methylethyl)benzene
C
1,3-diisopropylbenzene
D
1,2,4-triisopropylbenzene
E
1,2-diisopropylbenzene
Conditions | Yield |
---|---|
specimen (I) at 40℃; Product distribution; | A 14% B 1.5% C n/a D 0.6% E n/a |
A
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
at 110 - 130℃; under 0.01 Torr; for 4h; | A 9% B 3% C 9% |
1,4-bis(1-methylethyl)benzene
A
Isopropylbenzene
B
1,3,5-triisopropyl benzene
C
1,3-diisopropylbenzene
D
1,2,4-triisopropylbenzene
E
1,2-diisopropylbenzene
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% |
Conditions | Yield |
---|---|
With aluminium trichloride at 60℃; | |
With aluminium trichloride | |
With aluminium silicate-catalyst at 120 - 250℃; under 44130.5 Torr; | |
With aluminum (III) chloride; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride at 50℃; under 2700.27 Torr; Kinetics; Temperature; Pressure; Friedel Crafts alkylation; | |
With phosphoric acid; silica gel at 240℃; under 25742.8 Torr; |
Conditions | Yield |
---|---|
With tetrafluoroboric acid at -5℃; |
Conditions | Yield |
---|---|
With aluminium trichloride at 60℃; |
Conditions | Yield |
---|---|
With silicotungstic acid silica gel-catalyst; benzene at 200℃; |
Conditions | Yield |
---|---|
With aluminium silicate-catalyst at 120 - 250℃; under 44130.5 Torr; | |
With aluminium trichloride | |
With aluminium trichloride at 70℃; |
propene
isopropyl chloride
benzene
A
Isopropylbenzene
B
1,4-bis(1-methylethyl)benzene
C
1,3-diisopropylbenzene
D
1,2-diisopropylbenzene
Conditions | Yield |
---|---|
silica-alumina or zeolite Al silicate at 25 - 65℃; for 5h; Mechanism; Product distribution; Irradiation; the reaction was studied also without irradiation; |
propene
benzene
A
Isopropylbenzene
B
1,4-bis(1-methylethyl)benzene
C
1,3,5-triisopropyl benzene
D
1,3-diisopropylbenzene
E
1,2,4-triisopropylbenzene
F
1,2-diisopropylbenzene
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 |
propene
benzene
A
Isopropylbenzene
B
1,4-bis(1-methylethyl)benzene
C
1,3,5-triisopropyl benzene
D
1,3-diisopropylbenzene
E
1,2-diisopropylbenzene
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; |
propene
benzene
A
Isopropylbenzene
B
1,4-bis(1-methylethyl)benzene
C
1,3-diisopropylbenzene
D
1,2,4-triisopropylbenzene
E
1,2-diisopropylbenzene
F
tris-(isopropyl)benzene
Conditions | Yield |
---|---|
metal oxide-aluminosilicate at 40℃; Product distribution; various metal oxides in the catalyst; |
1,3-diisopropylbenzene
1,3-di-isopropyl-4-nitrobenzene
Conditions | Yield |
---|---|
With nitric acid In acetic anhydride; acetic acid at 0 - 20℃; for 1.33333h; | 98% |
With nitronium tetrafluoborate In sulfolane | |
In acetic anhydride nitration; |
Conditions | Yield |
---|---|
Stage #1: 1,3-diisopropylbenzene; 4-mercapto-cumene With sodium hydroxide; ortho-chlorobenzoic acid at 190℃; for 8h; Stage #2: With chlorosulfonic acid; sulfuric acid at 60℃; for 1h; | 94.2% |
trimethylsilyl trifluoromethanesulfonate
1,3-diisopropylbenzene
(4-nitrophenyl)-λ3-iodanediyl diacetate
Conditions | Yield |
---|---|
In acetonitrile at 23℃; Glovebox; Inert atmosphere; | 93% |
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With iodine; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane In acetonitrile at 55 - 65℃; for 3h; | 89% |
1,3-diisopropylbenzene
1,5-diisopropylcyclohexa-1,4-diene
Conditions | Yield |
---|---|
With N,N'-Dimethylurea; tris(pyrrolidino)phosphine oxide; lithium bromide In tetrahydrofuran at 20℃; Electrochemical reaction; | 85% |
With ethanol; ammonia; sodium Birch reduction; Cooling with dry ice; Inert atmosphere; | 45% |
With ethanol; ammonia; sodium for 0.416667h; Birch reaction; Inert atmosphere; Cooling; Reflux; regioselective reaction; | 45% |
1,3-diisopropylbenzene
bis(pinacol)diborane
1,3-diisopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)benzene
Conditions | Yield |
---|---|
With (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine Glovebox; Inert atmosphere; | 83% |
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In tetrahydrofuran at 80℃; for 16h; |
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
In neat (no solvent) byproducts: CH4; heating of mixt. of Zr(Me)(NHCMe3)((C9H10)2CH2CH2) and C6H4(CHMe2)2 at 75°C for 24 h; | 81% |
1,3-diisopropylbenzene
3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene
A
3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
B
2-(3-isopropyl-phenyl)-propan-2-ol
Conditions | Yield |
---|---|
In various solvent(s) at 110℃; Rate constant; thermal decomposition, oth. temperature; | A n/a B 80% |
1,3-diisopropylbenzene
chromium(0) hexacarbonyl
meta-diisopropylbenzenetricarbonylchromium
Conditions | Yield |
---|---|
In tetrahydrofuran; dibutyl ether refluxing under argon vac. for 72 h;; filtration, recrystn. from acetone;; | 80% |
boiling;; | 44% |
Conditions | Yield |
---|---|
With potassium bromate In tert-butyl methyl ether; water Electrochemical reaction; | 80% |
1,3-diisopropylbenzene
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane
1,3-diisopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)benzene
Conditions | Yield |
---|---|
With Ir(indenyl)(cyclooctadiene); bis(dimethylphosphino)ethane In neat (no solvent) (N2); stirring a mixt. of 1,3-diisopropylbenzene, Ir complex, diphosphine and boron compd. at room temp. for 20 min, heating at 130°C for28 h, cooling to room temp.; pouring into CH2Cl2, filtration through silica pad, washing with CH2Cl2,concn. in vac., distillation of diisopropylbenzene in vac., crystn. (et her, 0°C); elem. anal.; | 78.4% |
With C47H55N2Ni at 100℃; for 24h; Inert atmosphere; Glovebox; Sealed tube; | 43% |
1,3-dibromobenzene
1,3-diisopropylbenzene
triethyl phosphite
tetraethyl 1,3-benzenediphosphonate
Conditions | Yield |
---|---|
With nickel dibromide at 180℃; for 30h; Inert atmosphere; | 77.6% |
Conditions | Yield |
---|---|
Stage #1: gallium(III) trichloride With lithium hydride In diethyl ether at -10℃; for 6h; Inert atmosphere; Stage #2: 1,3-diisopropylbenzene In diethyl ether at -78℃; | 76% |
Conditions | Yield |
---|---|
With dimethyl 2-((6-methylpyridin-3-yl)methylene)malonate; silver(I) acetate; palladium diacetate; N-acetylglycine at 90℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube; regioselective reaction; | 76% |
phthalic anhydride
1,3-diisopropylbenzene
2-(2',4'-diisopropylbenzoyl)benzoic acid
Conditions | Yield |
---|---|
With aluminium trichloride In various solvent(s) at 100℃; for 2h; | 74% |
Conditions | Yield |
---|---|
In Cyclohexane-d12 at 70℃; under 760.051 Torr; for 20h; Inert atmosphere; | 72% |
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With iodine; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane In acetonitrile at 55 - 65℃; for 6h; | 71% |
Conditions | Yield |
---|---|
Stage #1: maleic anhydride; 1,3-diisopropylbenzene With aluminum (III) chloride In dichloromethane at 20℃; Friedel-Crafts acylation; Stage #2: With hydrogenchloride In dichloromethane; water Cooling with ice; | 70% |
With aluminium trichloride In dichloromethane Friedel-Crafts acylation; | |
With aluminum (III) chloride In dichloromethane Friedel-Crafts Acylation; | |
With aluminum (III) chloride In dichloromethane Friedel-Crafts Acylation; |
1,3-diisopropylbenzene
3-isopropyl-1-(2-hydroperoxy-2-propyl)benzene
1,3-di(2-hydroperoxy-2-propyl)benzene
Conditions | Yield |
---|---|
With oxygen In water at 83 - 92℃; under 2250.23 Torr; for 10h; pH=9 - 11; Product distribution / selectivity; | 66.1% |
With oxygen; sodium formate; sodium acetate; iron(II) acetate; sodium carbonate In water at 90℃; under 2250.23 Torr; for 6h; Product distribution / selectivity; | |
With oxygen; sodium formate; sodium acetate; sodium carbonate In water at 90℃; under 2250.23 Torr; for 6h; Product distribution / selectivity; | |
With oxygen at 90℃; Product distribution / selectivity; |
1,3-diisopropylbenzene
O-(p-toluenesulfonyl)-N-methylhydroxylamine
Conditions | Yield |
---|---|
With air at 20℃; for 72h; chemoselective reaction; | 66% |
1,3-diisopropylbenzene
1,3-diisopropyl-4,6-dinitrobenzene
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; nitric acid In dichloromethane 1.) 25 deg C, 1 h, 2.) 30-38 deg C, 0.5 h; | 64% |
With sulfuric acid; nitric acid In water at 70℃; Cooling with ice; | 41% |
With sulfuric acid; nitric acid at 70℃; |
4,4-dimethyl-4H-1-benzopyran
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With silver(I) acetate; palladium diacetate; Trimethylacetic acid at 80 - 100℃; for 24h; Inert atmosphere; regioselective reaction; | 60% |
1,3-diisopropylbenzene
N-methoxybenzamide
N-(2,4-diisopropylphenyl)-N-methoxybenzamide
Conditions | Yield |
---|---|
With peracetic acid; trifluoroacetic acid; 2,2’-diiodo-4,4’,6,6’-tetramethylbiphenyl In 1,2-dichloro-ethane at 20℃; | 59% |
IUPAC Name: 1,3-Di(propan-2-yl)benzene
The molecular formula of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is C12H18.
The molecular weight of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is 162.27.
Synonyms of 1,3-Diisopropylbenzene (CAS NO.99-62-7): Benzene, 1,3-bis(1-methylethyl)- ; 1,3-Bis(1-methylethyl)benzene ; 3-Isopropylcumene ; Benzene, 1,3-diisopropyl-
Apperance: clear colourless liquid
Index of Refraction: 1.488
EINECS: 202-773-1
Density: 0.855 g/ml
Flash Point: 76.7 °C
Boiling Point: 203.2 °C
Melting Point: -63 °C
BRN: 1905828
1,3-Diisopropylbenzene (CAS NO.99-62-7) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1650mg/kg (1650mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982. | |
mouse | LD50 | oral | 3100mg/kg (3100mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982. | |
mouse | LD50 | unreported | 3100mg/kg (3100mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: EXCITEMENT BEHAVIORAL: TREMOR | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971. |
rat | LD50 | oral | 7400mg/kg (7400mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982. | |
rat | LD50 | unreported | 8630mg/kg (8630mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.Safety information of 1,3-Diisopropylbenzene (CAS NO.99-62-7):
Risk Statements 33
R33:Danger of cumulative effects.
RIDADR UN 3082 9/PG 3
WGK Germany 2
RTECS CZ6334000
HazardClass 9
PackingGroup III
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