1,3-di-tert-butyl-5-ethylbenzene
toluene
1-(tert-butyl)-3-ethylbenzene
Conditions | Yield |
---|---|
With hydrogen fluoride at 0℃; |
tert.-butyl lithium
(Ethylbenzene)tricarbonylchromium
A
ethylbenzene
B
1-(tert-butyl)-3-ethylbenzene
C
4-ethyl-tert-butylbenzene
Conditions | Yield |
---|---|
With N-Bromosuccinimide 1) THF / -40 deg C / 2h 2) -40 deg C to r.t./ 1h; Yield given. Multistep reaction; | A 12 % Chromat. B n/a C 5 % Chromat. |
With N-Bromosuccinimide 1) THF / -40 deg C / 2h 2) -40 deg C to r.t./ 1h; Yield given. Multistep reaction; | A 12 % Chromat. B 58 % Chromat. C n/a |
tertiary butyl chloride
ethylbenzene
iron(III) chloride
A
1-(tert-butyl)-3-ethylbenzene
B
4-ethyl-tert-butylbenzene
Conditions | Yield |
---|---|
at -10℃; Product distribution; |
tert-butylbenzene
ethene
1-chlorocyclohexene
A
1-(tert-butyl)-3-ethylbenzene
B
4-ethyl-tert-butylbenzene
C
1-(tert-butyl)-2-ethylbenzene
Conditions | Yield |
---|---|
at 304℃; under 26478.3 Torr; |
tertiary butyl chloride
ethylbenzene
hydrogen fluoride
A
1-(tert-butyl)-3-ethylbenzene
B
4-ethyl-tert-butylbenzene
C
1,3-di-tert-butyl-5-ethylbenzene
Conditions | Yield |
---|---|
at 0 - 5℃; Product distribution; |
ethylbenzene
hydrogen fluoride
isobutene
A
1-(tert-butyl)-3-ethylbenzene
B
4-ethyl-tert-butylbenzene
C
1,3-di-tert-butyl-5-ethylbenzene
Conditions | Yield |
---|---|
at 0 - 5℃; Product distribution; |
ethylbenzene
tert-butyl alcohol
A
1-(tert-butyl)-3-ethylbenzene
B
4-ethyl-tert-butylbenzene
Conditions | Yield |
---|---|
With ZSM-5(50) zeolite at 200℃; Catalytic behavior; Flow reactor; Gas phase; regioselective reaction; |
ethylbenzene
tert-butyl alcohol
A
1,4-diethylbenzene
B
1-(tert-butyl)-3-ethylbenzene
C
4-ethyl-tert-butylbenzene
Conditions | Yield |
---|---|
With ZSM-5(25) zeolite at 200℃; Catalytic behavior; Temperature; Gas phase; Flow reactor; regioselective reaction; |
ethylbenzene
tert-butyl alcohol
A
m-diethylbenzene
B
1,4-diethylbenzene
C
1-(tert-butyl)-3-ethylbenzene
D
4-ethyl-tert-butylbenzene
E
benzene
Conditions | Yield |
---|---|
With ZSM-5(75) zeolite at 400℃; Catalytic behavior; Gas phase; Flow reactor; regioselective reaction; |
ethylbenzene
tert-butyl alcohol
A
m-diethylbenzene
B
1,4-diethylbenzene
C
4-tert-Butylstyrene
D
1-(tert-butyl)-3-ethylbenzene
E
4-ethyl-tert-butylbenzene
F
benzene
Conditions | Yield |
---|---|
With ZSM-5(25) zeolite at 400℃; Catalytic behavior; Gas phase; Flow reactor; regioselective reaction; |
ethylbenzene
tert-butyl alcohol
A
1,4-diethylbenzene
B
1-(tert-butyl)-3-ethylbenzene
C
4-ethyl-tert-butylbenzene
D
benzene
Conditions | Yield |
---|---|
With ZSM-5(25) zeolite at 300℃; Catalytic behavior; Flow reactor; Gas phase; regioselective reaction; |
ethylbenzene
tert-butyl alcohol
A
1,4-diethylbenzene
B
4-tert-Butylstyrene
C
1-(tert-butyl)-3-ethylbenzene
D
4-ethyl-tert-butylbenzene
E
benzene
Conditions | Yield |
---|---|
With ZSM-5(25) zeolite at 350℃; Catalytic behavior; Gas phase; Flow reactor; regioselective reaction; |
ethylbenzene
tert-butyl alcohol
A
m-diethylbenzene
B
1-(tert-butyl)-3-ethylbenzene
C
4-ethyl-tert-butylbenzene
Conditions | Yield |
---|---|
With ZSM-5(75) zeolite at 350℃; Catalytic behavior; Gas phase; Flow reactor; regioselective reaction; |
1-(tert-butyl)-3-ethylbenzene
Conditions | Yield |
---|---|
With iodine In nitromethane at 120℃; for 1h; Sealed tube; regioselective reaction; | 99% |
1-(tert-butyl)-3-ethylbenzene
1-(1-bromoethyl)-3-tert-butylbenzene
Conditions | Yield |
---|---|
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 1h; Heating / reflux; | 95% |
Conditions | Yield |
---|---|
With iodine In nitromethane at 120℃; for 10h; Sealed tube; regioselective reaction; | A 90% B 9% |
1-(tert-butyl)-3-ethylbenzene
Conditions | Yield |
---|---|
With 9-fluorenone; Selectfluor In acetonitrile at 27℃; for 6h; Glovebox; Irradiation; | 85% |
With 9-fluorenone; Selectfluor In acetonitrile at 20℃; for 24h; Glovebox; Inert atmosphere; Irradiation; Schlenk technique; |
1-(tert-butyl)-3-ethylbenzene
Conditions | Yield |
---|---|
With zinc diacetate; copper(l) cyanide; zinc trifluoromethanesulfonate; N-fluorobis(benzenesulfon)imide at 20℃; for 24h; Sealed tube; Inert atmosphere; | 85% |
1-(tert-butyl)-3-ethylbenzene
1-(methyl)-thiourea
Conditions | Yield |
---|---|
Stage #1: 1-(tert-butyl)-3-ethylbenzene With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In water at 60℃; for 4h; Stage #2: 1-(methyl)-thiourea With sodium hydrogencarbonate In water at 80℃; for 1h; | 80% |
1-(tert-butyl)-3-ethylbenzene
1-(3-(tert-butyl)phenyl)ethan-1-one
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; copper(II) acetate monohydrate In water at 80℃; for 8h; | 77% |
With cerium(III) sulfate; barium bromate In water; acetonitrile at 20℃; for 16h; Heating / reflux; |
1-Propyl acetate
1-(tert-butyl)-3-ethylbenzene
propyl 3-tert-butylbenzoylformate
Conditions | Yield |
---|---|
With water; hydrogen bromide; oxygen for 20h; Irradiation; | 52% |
1-(tert-butyl)-3-ethylbenzene
Conditions | Yield |
---|---|
With xanth-9-one; 1-fluoro-4-methyl-1,4-diazoniabicyclo<2.2.2>octane ditetrafluoroborate In acetonitrile at 27℃; for 24h; Glovebox; Irradiation; | 33% |
acetic acid methyl ester
1-(tert-butyl)-3-ethylbenzene
methyl 3-tert-butylbenzoylformate
Conditions | Yield |
---|---|
With water; hydrogen bromide; oxygen for 20h; Irradiation; | 14% |
1-(tert-butyl)-3-ethylbenzene
2-ethyl-1-bromo-4-tert-butyl-benzene
Conditions | Yield |
---|---|
With bromine |
1-(tert-butyl)-3-ethylbenzene
4-ethyl-tert-butylbenzene
acetyl chloride
1-(2-ethyl-4-tert-butyl-phenyl)-ethanone
Conditions | Yield |
---|---|
With carbon disulfide; aluminium trichloride |
1-(tert-butyl)-3-ethylbenzene
1-(tert-butyl)-3-vinylbenzene
Conditions | Yield |
---|---|
With sulfur dioxide; water; magnesium o-vanadate at 500℃; oxidative dehydrogenation; | 83.0 % Chromat. |
1-(tert-butyl)-3-ethylbenzene
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: cerium(III) sulfate; barium bromate / water; acetonitrile / 16 h / 20 °C / Heating / reflux 2.1: ethanol; sodium hydride / diethyl ether / 72 h / 0 - 20 °C 3.1: 3 h / 110 °C 3.2: 4 h / 20 - 85 °C 4.1: potassium peroxymonosulfate / methanol; water / 20 °C 5.1: dimethyl sulfoxide / 3 h / 20 °C View Scheme |
1-(tert-butyl)-3-ethylbenzene
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: cerium(III) sulfate; barium bromate / water; acetonitrile / 16 h / 20 °C / Heating / reflux 2.1: ethanol; sodium hydride / diethyl ether / 72 h / 0 - 20 °C 3.1: 3 h / 110 °C 3.2: 4 h / 20 - 85 °C 4.1: potassium peroxymonosulfate / methanol; water / 20 °C View Scheme |
1-(tert-butyl)-3-ethylbenzene
1,3-dioxo-6-hydroxy-1-(3'-tert-butyl-phenyl)-hexane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: cerium(III) sulfate; barium bromate / water; acetonitrile / 16 h / 20 °C / Heating / reflux 2: ethanol; sodium hydride / diethyl ether / 72 h / 0 - 20 °C View Scheme |
The Benzene,1-(1,1-dimethylethyl)-3-ethyl-, with the CAS registry number 14411-56-4, is also known as Benzene, 1-t-butyl-3-ethyl-. This chemical's molecular formula is C12H18 and molecular weight is 162.27132. Its IUPAC name is called 1-tert-butyl-3-ethylbenzene. The product should be sealed and stored in dry, well-ventilated place.
Physical properties of Benzene,1-(1,1-dimethylethyl)-3-ethyl-: (1)ACD/LogP: 4.90; (2)ACD/LogD (pH 5.5): 4.9; (3)ACD/LogD (pH 7.4): 4.9; (4)ACD/BCF (pH 5.5): 3108.19; (5)ACD/BCF (pH 7.4): 3108.19; (6)ACD/KOC (pH 5.5): 11003.52; (7)ACD/KOC (pH 7.4): 11003.52; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.485; (10)Molar Refractivity: 54.18 cm3; (11)Molar Volume: 188.9 cm3; (12)Surface Tension: 27.3 dyne/cm; (13)Density: 0.858 g/cm3; (14)Flash Point: 71 °C; (15)Enthalpy of Vaporization: 42.19 kJ/mol; (16)Boiling Point: 203.6 °C at 760 mmHg; (17)Vapour Pressure: 0.392 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC(=CC=C1)C(C)(C)C
(2)InChI: InChI=1S/C12H18/c1-5-10-7-6-8-11(9-10)12(2,3)4/h6-9H,5H2,1-4H3
(3)InChIKey: MUJPTTGNHRHIPH-UHFFFAOYSA-N
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