Conditions | Yield |
---|---|
With air oxidized carbon nanotubes at 120℃; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Inert atmosphere; chemoselective reaction; | 100% |
With aminosulfonic acid In acetic anhydride at 80℃; for 0.5h; Dehydration; | 98% |
niobium silicate at 250℃; | 98.9% |
cyclohexane
1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical
2-(t-butylazo)prop-2-yl hydroperoxide
A
2-cyclohexyloxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole
B
2-tert-butoxy-1,1,3,3-tetramethylisoindoline
C
acetone
D
isobutene
Conditions | Yield |
---|---|
at 70℃; for 17h; Mechanism; Rate constant; Thermodynamic data; var. of nitroxide, solvent, temp., EA, ΔH(excit.), ΔS(excit.); | A 96% B 82% C 100% D 15% |
4-(bromomethylene)-2-(tert-butylthio)-1,3-dithiolylium bromide
A
4-(bromomethylene)-1,3-dithiolane-2-thione
B
isobutene
Conditions | Yield |
---|---|
for 12h; Ambient temperature; | A 100% B n/a |
B
isobutene
Conditions | Yield |
---|---|
In acetonitrile for 0.0833333h; Heating; | A 100% B n/a |
B
isobutene
Conditions | Yield |
---|---|
In acetonitrile for 0.0833333h; Heating; | A 100% B n/a |
Conditions | Yield |
---|---|
With diisobutylaluminium hydride In pentane at 25℃; for 0.5h; | A n/a B 100% |
Conditions | Yield |
---|---|
With 15-crown-5; cesium fluoride In 1,2-dimethoxyethane at -18 - 20℃; for 1h; | 100% |
Conditions | Yield |
---|---|
With Hoveyda-Grubbs catalyst second generation at 20℃; for 0.75h; Neat (no solvent); Inert atmosphere; | A 100% B n/a |
With C35H46Cl2N2ORu In benzene-d6 at 60℃; Catalytic behavior; Reagent/catalyst; Sealed tube; |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; | A 100% B n/a C 100% |
Conditions | Yield |
---|---|
at 220℃; under 1200.12 Torr; | 99.95% |
98.4% | |
shaped catalyst (68percent SiO2, 21percent Al2O3, 11percent MgO, 0.11percent Na2O) at 164 - 250℃; under 5250.53 Torr; for 4000h; Conversion of starting material; |
4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl
A
4,4'-Dihydroxybiphenyl
B
isobutene
Conditions | Yield |
---|---|
With methanesulfonic acid In isopar-G (hydrocarbons C10-C11); toluene at 150℃; for 2h; | A 99% B n/a |
B
isobutene
Conditions | Yield |
---|---|
With tetrafluoroboric acid In methanol; water at -78 - 20℃; for 2h; | A 99% B n/a |
3-acetoxyacetonyl tert-butyl trithiocarbonate
A
4-(acetoxymethyl)-1,3-dithiole-2-thione
B
isobutene
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetic acid; trifluoroacetic acid 1. warming, 30 min; 2. heating, 30 min; | A 98% B n/a |
2-Amino-4-benzylamino-4,6,6-trimethyl-cyclohex-2-ene-1,1,3-tricarbonitrile
A
3-Amino-4-[1-benzylamino-eth-(Z)-ylidene]-2-cyano-pent-2-enedinitrile
B
isobutene
Conditions | Yield |
---|---|
In xylene for 1h; Heating; | A 98% B n/a |
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h; | A 98% B n/a |
Conditions | Yield |
---|---|
With A35 resin acid at 100℃; for 2h; Temperature; Reagent/catalyst; | A n/a B 98% |
Conditions | Yield |
---|---|
aluminum oxide; nickel(II) sulphate In various solvent(s) at 305℃; Product distribution; fixed, quartz powder bed tubular reactor; gaseous phase in N2 flow; varied: temperature 280 to 330 deg C; N2 flow; quartz powder/catalyst ratio; residence time; substrates other alkylated phenols too; | A 97.5% B n/a |
Conditions | Yield |
---|---|
at 450℃; under 1125.11 Torr; Reagent/catalyst; Pressure; Temperature; Inert atmosphere; | 97.4% |
at 200 - 380℃; Umlagerung in Gegenwart verschiedener Katalysatoren; |
Conditions | Yield |
---|---|
at 135℃; for 24h; Yield given; | A n/a B 97% |
triisopropylsilanol
(2-methylallyl)-dimethylvinylsilane
A
1,1-dimethyl-3,3,3-triisopropyl-1-vinyldisiloxane
B
isobutene
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h; | A 97% B n/a |
dibutylbis(2-methylallyl)germane
B
isobutene
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In toluene at 20℃; for 2h; | A 97% B n/a |
Conditions | Yield |
---|---|
aluminum oxide at 315.546℃; under 11103.3 Torr; | A 1.4% B 1.1% C 96.4% |
Conditions | Yield |
---|---|
BASF AL3996 at 300℃; under 760.051 Torr; Product distribution / selectivity; | 96% |
With BASF A13996R at 325℃; Flow reactor; | 95% |
at 340℃; under 780.078 Torr; Catalytic behavior; Temperature; Pressure; Reagent/catalyst; Inert atmosphere; | 94.35% |
Conditions | Yield |
---|---|
In decalin byproducts: isobutane; pyrolysis in decalin under dry and deoxygenated N2 (140°C, 24 h); GLC anal. of org. products; | A >99 B 96% |
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In toluene at 20℃; for 2h; | A 96% B n/a |
1,3-Diamino-2,6,6-tricyan-3,5,5-trimethyl-cyclohex-1-en
A
2,4-Diamino-1,1,3-tricyan-penta-1,3-dien
B
isobutene
Conditions | Yield |
---|---|
In decalin for 1h; Heating; | A 95% B n/a |
2-Amino-4,6,6-trimethyl-4-methylamino-cyclohex-2-ene-1,1,3-tricarbonitrile
A
3-Amino-2-cyano-4-[1-methylamino-eth-(Z)-ylidene]-pent-2-enedinitrile
B
isobutene
Conditions | Yield |
---|---|
In xylene for 1h; Heating; | A 95% B n/a |
tri(tert-butyl)phosphite
acrylic acid
A
di-tert-butyl phosphite
C
isobutene
Conditions | Yield |
---|---|
In dichloromethane for 2h; Heating; | A 95% B n/a C n/a |
1,1,1,5,5,5-hexamethyl-3-trimethylsiloxy-3-hydroxytrisiloxane
(2-methylallyl)-dimethylvinylsilane
A
1,1,1,5,5-pentamethyl-5-vinyl-3,3-bis(trimethylsiloxy)-trisiloxane
B
isobutene
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h; | A 95% B n/a |
triisopropylsilanol
2-methyl a l l y l t r i s-(trimethylsiloxy)silane
A
1,1,1-trimethyl-5,5,5-triisopropyl-3,3-bis(trimethyl-siloxy)trisiloxane
B
isobutene
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h; | A 95% B n/a |
Conditions | Yield |
---|---|
With sulfuric acid at 65℃; under 1034.3 Torr; for 3h; | 100% |
With sulfuric acid at 70℃; | |
sulfuric acid at 65℃; under 1520.1 Torr; | |
With sulfuric acid at 65 - 70℃; for 2h; | 114.1 g |
methyl (2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxybutyrate
isobutene
N-benzyloxycarbonyl-O-tert-butylthreonine methyl ester
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane at 0℃; for 48h; | 100% |
With sulfuric acid In dichloromethane for 72h; Ambient temperature; | 75% |
With sulfuric acid In dichloromethane |
propargyl alcohol
isobutene
1-Bromo-2-methyl-2-(2-propyn-1-yloxy)propane
Conditions | Yield |
---|---|
With N-Bromosuccinimide at 0℃; for 1h; | 100% |
With N-Bromosuccinimide In dichloromethane 1.) -20 deg C, 2 h, 2.) r.t., 15 h; | 80% |
methanol
pyridine-2-selenenyl bromide
isobutene
2-(2-Methoxy-2-methyl-propylselanyl)-pyridine
Conditions | Yield |
---|---|
at 25℃; for 2h; | 100% |
(S)-2-chloropropanoic acid
isobutene
(S)-tert-butyl 2-chloropropanoate
Conditions | Yield |
---|---|
With hydrogen cation | 100% |
With hydrogen cation | 93% |
With sulfuric acid In dichloromethane at 20℃; for 48h; | 73% |
(E)-ethyl 4-hydroxybut-2-enoate
isobutene
ethyl 4-tert-butoxycrotonate
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane for 36h; Ambient temperature; | 100% |
O,O′-diacetyl L-tartaric acid
isobutene
O,O′-diacetyl di-tert-butyl L-tartrate
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane at -15 - 20℃; for 72h; | 100% |
Conditions | Yield |
---|---|
With 2,6-di-tert-butyl-pyridine; boron trichloride In various solvent(s) at -80℃; for 0.666667h; | 100% |
zinc chloride diethyl ether In dichloromethane at -78℃; for 4h; | 71% |
(2R,3S)-2-Methoxymethoxy-3-((3S,8S,9S,10R,13S,14S,17R)-3-methoxymethoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-butyraldehyde
isobutene
(4R,5R,6S)-5-Methoxymethoxy-6-((3S,8S,9S,10R,13S,14S,17R)-3-methoxymethoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-hept-1-en-4-ol
Conditions | Yield |
---|---|
With tin(IV) chloride In dichloromethane at -78℃; for 5h; | 100% |
2-oxo-3-(ethoxycarbonyl)-3,4-dihydro-β-carboline
isobutene
2,2-dimethyl-5-(ethoxycarbonyl)-4,5,6,11b-tetrahydroisoxazolidino<2,3-a>-β-carboline
Conditions | Yield |
---|---|
In toluene at 120℃; under 750.06 - 6750.5 Torr; for 4h; | 100% |
(E)-4-Methyl-6-trimethylsilanyl-hex-4-enal
isobutene
geranyltrimethylsilane
Conditions | Yield |
---|---|
With Wittig | 100% |
3-cyclohexyl-D-alanine
isobutene
(R)-2-Amino-3-cyclohexyl-propionic acid tert-butyl ester
Conditions | Yield |
---|---|
With sulfuric acid In 1,4-dioxane | 100% |
isobutene
Conditions | Yield |
---|---|
With Acetyl bromide; MeCOBr*2AlBr3 In dichloromethane at -78℃; for 0.333333h; Polymerization; | 100% |
isobutene
Conditions | Yield |
---|---|
With aluminum tri-bromide; 2,4,6-Me3C6H2COBr*2AlBr3; Mesitoyl bromide In hexane at -78℃; for 0.333333h; Polymerization; | 100% |
isobutene
Conditions | Yield |
---|---|
With Acetyl bromide; MeCOBr*2AlBr3; 2,3-dibromo-5,6-dicyano-1,4-benzoquinone In hexane at -78℃; for 0.333333h; Polymerization; | 100% |
isobutene
1-benzyloxycarbonyl-4-keto-L-proline
(2S)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane for 12h; Cooling with ice; | 100% |
With sulfuric acid In dichloromethane at 20℃; for 16h; | 80% |
With sulfuric acid In dichloromethane at 20℃; for 16h; | 80% |
isobutene
Conditions | Yield |
---|---|
With tetrachloromethane; triisobutylaluminum; titanium tetrachloride In toluene at 30℃; Polymerization; | 100% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In dichloromethane at -50 - -45℃; for 2.5h; | 100% |
With trifluorormethanesulfonic acid | 70% |
7,7-diphenyl-6-heptenoic acid
isobutene
tert-butyl 7,7-diphenylhept-6-enoate
Conditions | Yield |
---|---|
With sulfuric acid In dichloromethane at 20℃; | 100% |
isobutene
Conditions | Yield |
---|---|
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h; | 100% |
isobutene
Conditions | Yield |
---|---|
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h; | 100% |
isobutene
Conditions | Yield |
---|---|
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h; | 100% |
isobutene
Conditions | Yield |
---|---|
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h; | 100% |
isobutene
Conditions | Yield |
---|---|
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h; | 100% |
The Isobutene, with the CAS registry number 115-11-7 and EINECS registry number 204-066-3, has the systematic name and IUPAC name of 2-methylprop-1-ene. It is a kind of colorless gas at standard temperature and pressure, and belongs to the following product categories: Gas Cylinders; Hydrocarbons (Low Boiling point); Synthetic Organic Chemistry. And the molecular formula of this chemical is C4H8.You should be cautious while dealing with Isobutylene. It is a kind of extremely flammable chemicalirritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges.
The physical properties of Isobutene are as followings:
(1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.246; (4)ACD/LogD (pH 7.4): 2.246; (5)ACD/BCF (pH 5.5): 29.979; (6)ACD/BCF (pH 7.4): 29.979; (7)ACD/KOC (pH 5.5): 396.941; (8)ACD/KOC (pH 7.4): 396.941; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.368; (14)Molar Refractivity: 20.148 cm3; (15)Molar Volume: 89.457 cm3; (16)Polarizability: 7.987×10-24cm3; (17)Surface Tension: 15.147 dyne/cm; (18)Density: 0.627 g/cm3; (19)Enthalpy of Vaporization: 23.496 kJ/mol; (20)Boiling Point: °C at 760 mmHg; (21)Vapour Pressure: 2143.214 mmHg at 25°C.
Preparation of Isobutene:
It can be isolated from refinery streams by reaction with sulfuric acid. But in industial, it is commonly produced by catalytic dehydrogenation of isobutane.
Uses of Isobutene:
It is usually used as an intermediate in the production of a variety of products, such as gasoline oxygenates methyl tert-butyl ether (MTBE) and ethyl tert-butyl ether (ETBE), fuel additive isooctane, methacrolein, butyl rubber, and antioxidants butylated hydroxytoluene (BHT) and butylated hydroxyanisole (BHA).
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)C
(2)InChI: InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3
(3)InChIKey: VQTUBCCKSQIDNK-UHFFFAOYAW
The toxicity data of Isobutylene is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 415gm/m3/2H (415000mg/m3) | Farmakologiya i Toksikologiya Vol. 30, Pg. 102, 1967. | |
rat | LC50 | inhalation | 620gm/m3/4H (620000mg/m3) | Farmakologiya i Toksikologiya Vol. 30, Pg. 102, 1967. |
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