Conditions | Yield |
---|---|
With palladium/alumina; hydrogen In hexane at 325℃; Flow reactor; Green chemistry; | A 96.2% B 3.8% |
With hydrogen In hexane at 325℃; Flow reactor; Green chemistry; | A 15.9% B 84.2% |
Conditions | Yield |
---|---|
Stage #1: 2,3-dimethyl-buta-1,3-diene; crotonaldehyde at 150℃; for 3h; Diels-Alder Cycloaddition; Stage #2: With 5%-palladium/activated carbon In ethyl acetate at 260℃; | 95% |
2,3,5-Trimethyl-(4-methylphenylsulfonyloxy)benzene
1,2,4-Trimethylbenzene
Conditions | Yield |
---|---|
With sodium tetrahydroborate; bis(triphenylphosphine)nickel(II) chloride; tricyclohexylphosphine In tetrahydrofuran at 60℃; for 14h; | 93% |
Conditions | Yield |
---|---|
With (η4-1,5-hexadiene)(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene)nickel In BENZENE-d6 at 20℃; | 91% |
Conditions | Yield |
---|---|
With palladium/alumina; hydrogen In hexane at 325℃; Flow reactor; Green chemistry; | A 84.8% B 6.5% |
With hydrogen In hexane at 325℃; Flow reactor; Green chemistry; | A 19.5% B 73.2% |
3,4-dimethylcyclohex-3-ene-1-carboxaldehyde
A
o-xylene
B
1,2,4-Trimethylbenzene
Conditions | Yield |
---|---|
With hydrogen In hexane at 325℃; Flow reactor; Green chemistry; | A 17.5% B 80.9% |
With palladium/alumina; hydrogen In hexane at 325℃; Flow reactor; Green chemistry; | A 73% B 27% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; (-) In ethanol at 20℃; for 2h; | 63% |
With phosphorus; hydrogen iodide | |
With diethyl ether; magnesium Zersetzen der Reaktionsprodukte mit Wasser; |
Conditions | Yield |
---|---|
In benzene-d6 1 turnover/day, catalytic react., 25°C; products detd. by NMR and GC; | A 45% B 55% |
o-xylene
A
2-Ethyltoluene
B
1,2,4-Trimethylbenzene
C
1,2,3-trimethylbenzene
D
2-methyl-benzyl alcohol
E
1,2-bis(2-methylphenyl)ethane
Conditions | Yield |
---|---|
With peracetic acid at 20 - 22℃; Product distribution; Irradiation; λ>2900 Angstroem; | A 9.3% B n/a C n/a D 36.9% E n/a |
para-xylene
A
4-Methylbenzyl alcohol
B
1,2,4-Trimethylbenzene
C
4-methylethylbenzene
D
1,2-di-p-tolylethane
Conditions | Yield |
---|---|
With peracetic acid at 20 - 22℃; Product distribution; Irradiation; λ>2900 Angstroem; | A 32.3% B 5.9% C 10.2% D n/a |
m-xylene
A
1-Methyl-3-ethylbenzene
B
1,2,4-Trimethylbenzene
C
1,2,3-trimethylbenzene
D
1,2-di-m-tolylethane
E
3-methylbenzyl alcohol
F
1,3,5-trimethyl-benzene
Conditions | Yield |
---|---|
With peracetic acid at 20 - 22℃; Product distribution; Irradiation; λ>2900 Angstroem; | A 7.4% B n/a C n/a D n/a E 30% F n/a |
o-xylene
A
3,4-Dimethylphenol
B
2-Ethyltoluene
C
1,2,4-Trimethylbenzene
D
2,3-Dimethylphenol
E
2-methyl-benzyl alcohol
F
1,2-bis(2-methylphenyl)ethane
Conditions | Yield |
---|---|
With peracetic acid at 20 - 22℃; Product distribution; Irradiation; λ=2537 Angstroem; | A n/a B 24.3% C n/a D n/a E 15.1% F n/a |
para-xylene
A
2,5-Dimethylphenol
B
4-Methylbenzyl alcohol
C
1,2,4-Trimethylbenzene
D
4-methylethylbenzene
E
1,2-di-p-tolylethane
Conditions | Yield |
---|---|
With peracetic acid at 20 - 22℃; Product distribution; Irradiation; λ=2537 Angstroem; | A 6.1% B 13.5% C 8.4% D 23.5% E n/a |
acetone
A
ethane
B
propane
C
o-xylene
D
1,2,4-Trimethylbenzene
E
toluene
F
benzene
Conditions | Yield |
---|---|
Zeolite HZSM-5(1) at 350℃; under 760 Torr; for 1h; Product distribution; Mechanism; 1)other times 2)other zeolites 3) impregnation of zeolites with basic oxides; | A 3.4% B 8.1% C 11% D 7.8% E 15.4% F 3.7% G n/a |
para-xylene
A
o-xylene
B
1,2,4-Trimethylbenzene
C
m-xylene
D
toluene
Conditions | Yield |
---|---|
Product distribution; Irradiation; other xylene, also with DCA; | A 0.4% B 13.2% C 1.2% D 5% |
Conditions | Yield |
---|---|
With hydrogenchloride at 50 - 60℃; Einleiten von HCl, Kochen des Reaktionsprodukts mit aethanol. NaOH und Hydrogenolyse des gebildeten Aethylaether-Gemisches an Kupferchromit bei 300grad unter Druck; |
Conditions | Yield |
---|---|
With aluminium trichloride at 95℃; |
Conditions | Yield |
---|---|
With aluminium trichloride at 130 - 140℃; |
Conditions | Yield |
---|---|
With hydrogenchloride Erwaermen der Reaktionsprodukte mit Zinkstaub und wss. NaOH auf 100grad; | |
With hydrogenchloride Erwaermen der Reaktionsprodukte mit Zinkstaub und wss. NaOH auf 100grad; |
Conditions | Yield |
---|---|
With hydrogenchloride Erwaermen der Reaktionsprodukte mit Zinkstaub und wss. NaOH auf 100grad; | |
With hydrogenchloride Erwaermen der Reaktionsprodukte mit Zinkstaub und wss. NaOH auf 100grad; |
Conditions | Yield |
---|---|
With phosphorus pentoxide |
Conditions | Yield |
---|---|
With aluminium trichloride at 80℃; |
Conditions | Yield |
---|---|
With phosphorus pentaoxide | |
With zinc(II) chloride | |
With phosphorus pentoxide |
Conditions | Yield |
---|---|
With phosphorus pentoxide | |
With zinc(II) chloride |
Conditions | Yield |
---|---|
unter geringem Ueberdruck; |
1,1,3-trimethylcyclohexane
1,2,4-Trimethylbenzene
Conditions | Yield |
---|---|
With Pt/Al2O3; hydrogen at 300℃; | |
With Pt/Al2O3; s-butyl chloride at 300℃; |
bis-(2,4-dimethyl-phenyl)methane
1,2,4-Trimethylbenzene
Conditions | Yield |
---|---|
With hydrogen; nickel; tungsten at 450℃; under 13974.6 Torr; | |
With molybdenum oxide-aluminium oxide; hydrogen at 300℃; |
Conditions | Yield |
---|---|
With tetrahydrofuran; lithium aluminium tetrahydride; lithium hydride | |
With diethyl ether; magnesium Zersetzen der Reaktionsprodukte mit Wasser; |
Conditions | Yield |
---|---|
Diazotization.Reduktion mit Zinn in alkal. Loesung; |
Conditions | Yield |
---|---|
With phosphorus pentoxide |
1,2,4-Trimethylbenzene
1,2,4-tribromo-3,5,6-trimethyl-benzene
Conditions | Yield |
---|---|
With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride In acetic acid at 70℃; for 24h; | 99% |
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide; iodine; iron(II) sulfate; sodium bromide In dichloromethane; water at 0℃; | 97.3% |
With hydrogenchloride; sodium hypochlorite; sodium bromide In water at 29.85℃; for 8h; Product distribution; Further Variations:; Temperatures; | 96.2% |
With bromine; iron; acetic acid |
Conditions | Yield |
---|---|
With N,N,N-trimethylbenzenemethanaminium dichloroiodate; zinc(II) chloride In acetic acid for 48h; Ambient temperature; | 97% |
With iodine; Selectfluor In acetonitrile at 55 - 65℃; for 1.5h; | 88% |
With aluminum oxide; iodine; copper dichloride at 60℃; for 3h; also other polymethylbenzenes; | 97 % Chromat. |
Conditions | Yield |
---|---|
With air; acetic acid; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; zirconyl acetate at 150℃; under 15200 Torr; for 6h; | 97% |
With 7H2O*3H3N*3H(1+)*[FeMo6O18(OH)6](3-); sodium carbonate; acetic acid at 100℃; under 750.075 Torr; for 12h; Reagent/catalyst; Temperature; Inert atmosphere; | 97% |
With cobalt(II) acetate; manganese(II) acetate; acetic acid at 110 - 220℃; under 14251.4 - 16501.7 Torr; Pressure; Temperature; | 96.32% |
2-mesitylenesulphonyl chloride
1,2,4-Trimethylbenzene
1,3,5-trimethyl-2-(2,4,5-trimethyl-benzenesulfonyl)-benzene
Conditions | Yield |
---|---|
With aluminum (III) chloride In dichloromethane at 25℃; for 2h; Inert atmosphere; | 96% |
With aluminum (III) chloride In dichloromethane at 20℃; for 2h; | 96% |
1,2,4-Trimethylbenzene
ethyl-methyl-malonyl dichloride
2-ethyl-2,4,5,7-tetramethylindan-1,3-dione
Conditions | Yield |
---|---|
AlCl3 In dichloromethane | 93% |
Conditions | Yield |
---|---|
With phthalic anhydride; dihydrogen peroxide In neat (no solvent) at 118 - 120℃; for 2.5h; Reagent/catalyst; Temperature; Time; Solvent; | 92% |
With dihydrogen peroxide; acetic anhydride; methyltrioxorhenium(VII) In water at 60℃; | 37% |
With 3-chloro-benzenecarboperoxoic acid In chloroform at 60 - 70℃; for 0.5h; | 16.5% |
[(η6-benzene)IrH2(P(iPr)3)]BF4
1,2,4-Trimethylbenzene
[(η6-1,2,4-trimethylbenzene)IrH2(P(iPr)3)]BF4
Conditions | Yield |
---|---|
In acetone under Ar; a soln. of Ir complex in acetone was treated with a 10-fold excess of the arene and stirred for 1 h; the soln. was concd., treated with a mixt. of (C2H5)2O/THF, the ppt. wasfiltered, washed with (C2H5)2O, dried in vac.; elem. anal.; | 92% |
1,2,4-Trimethylbenzene
5-chloro-1,2,4-trimethylbenzene
Conditions | Yield |
---|---|
With hydrogenchloride; sodium chloride; sodium hydroxide In water; acetonitrile Solvent; Reagent/catalyst; | 91.2% |
With benzyltrimethylazanium tetrachloro-λ3-iodanuide In acetic acid for 20h; Ambient temperature; | 52% |
With chlorine im Dunkeln; | |
With aluminium trichloride; sulfuryl dichloride |
Conditions | Yield |
---|---|
With antimony pentafluoride; fluorosulphonic acid at 0℃; for 1h; | A 90% B 1% |
With antimony pentafluoride; fluorosulphonic acid at 0℃; for 1h; Yields of byproduct given. Title compound not separated from byproducts; | A 90 % Chromat. B n/a |
3,3-Dimethylacryloyl chloride
1,2,4-Trimethylbenzene
2',3,4',5'-tetramethylcrotonophenone
Conditions | Yield |
---|---|
With aluminium trichloride | 89% |
With aluminium trichloride In nitromethane |
Conditions | Yield |
---|---|
With In(OSO2CF3)3 for 0.133333h; Friedel-Crafts acylation reaction; microwave irradiation; | 89% |
1,2,4-Trimethylbenzene
A
isophthalic acid
B
terephthalic acid
C
1,2,4-benzene tricarboxylic acid
Conditions | Yield |
---|---|
With oxygen; titanium(IV) isopropylate; tetrabutoxytitanium; manganese(II) acetate; cobalt(II) acetate; ammonium bromide; cerous nitrate In water; acetic acid at 150 - 225℃; under 5250.53 - 18751.9 Torr; for 1.2 - 1.25h; Product distribution / selectivity; | A n/a B n/a C 88.3% |
Conditions | Yield |
---|---|
In further solvent(s) N2-atmosphere; equimolar amts. of TlCl and AlCl3, stirring in 1,2,4-trimethylbenzene at room temp.; filtration, slow cooling to 0°C (crystn.); elem. anal.; | 86% |
1,2,4-Trimethylbenzene
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In dichloromethane at -40℃; for 0.0166667h; | 86% |
Conditions | Yield |
---|---|
Stage #1: 1,2,4-Trimethylbenzene With formic acid; dihydrogen peroxide; calcium chloride at 50 - 90℃; for 5h; Stage #2: With sodium dithionite In water at 45℃; for 2h; Temperature; Reagent/catalyst; | 85.6% |
With peracetic acid; sodium disulfite 1) acetic acid, 70 deg C, 1 h; 2) water, 20 deg C, 0.5 h.; Yield given. Multistep reaction; | |
Multi-step reaction with 3 steps 1: sodium bromide; sulfuric acid; iron(II) sulfate; iodine; dihydrogen peroxide / dichloromethane; water / 0 °C 2: potassium dichromate; sulfuric acid; copper(II) sulfate / water; acetonitrile / 45 °C 3: sodium carbonate; hydrogen / 80 °C View Scheme |
4,4,5,5-pentamethyl-2-(1'-n-butyl-pyrazole-4'-yl)-4,5-dihydro-1H-imidazolyl-3-oxide-1-oxyl
1,2,4-Trimethylbenzene
Conditions | Yield |
---|---|
In further solvent(s) dissolving mixt. of copper compd. and nitronyl nitroxide deriv. in 1,2,4-trimethylbenzene with heating to 70°C for 2-3 min; cooling to room temp., keeping with slow evapn. at 5°C for 1-2 d,filtration, washing with cold heptane, air drying, elem. anal.; | 85% |
1,2,4-Trimethylbenzene
Conditions | Yield |
---|---|
Stage #1: 1,2,4-Trimethylbenzene; (E)-5-(4-chlorophenyl)-1-phenylpent-4-en-2-yn-1-one With trifluorormethanesulfonic acid In dichloromethane at 20℃; Stage #2: With water In dichloromethane | 85% |
1,2,4-Trimethylbenzene
acetic acid
A
2,3,5-Trimethyl-1,4-benzoquinone
B
Duroquinone
C
2,3,5-trimethylanisole
D
2,3,6-trimethylphenyl acetate
E
1-methoxy-2,4,5-trimethylbenzene
F
3-acetoxy-2,5-dihydroxy-5-carboxy-2,3,5-trimethylpentan-4-olide
Conditions | Yield |
---|---|
With peracetic acid at 70℃; for 0.5h; Product distribution; Kinetics; Thermodynamic data; other reaction time: 4 h.; | A 16% B 0.03% C 0.02% D 0.03% E 0.04% F 82.6% |
Conditions | Yield |
---|---|
With water at 100℃; for 10h; Sealed tube; Green chemistry; regioselective reaction; | 82% |
Conditions | Yield |
---|---|
at 160℃; for 72h; complexation; | 81% |
[IrCl(C8H3(CH3)3C4F4)]2
1,2,4-Trimethylbenzene
[Ir(C8H3(CH3)3C4F4)(C6H3(CH3)3)](1+)*ClO4(1-)=[Ir(C8H3(CH3)3C4F4)(C6H3(CH3)3)]ClO4
Conditions | Yield |
---|---|
In dichloromethane byproducts: AgCl; stirring, 1h; filtering off pptd. AgCl (kieselgur); concentrating; addn. of ether; pptn.; recrystn. (dichloromethane/ether); elem. anal.; | 81% |
1,2,4-Trimethylbenzene
4-chlorobenzoyl chloride
4'-bromo-2,4,5-trimethylbenzophenone
Conditions | Yield |
---|---|
Stage #1: 4-chlorobenzoyl chloride With aluminum (III) chloride In dichloromethane at -20℃; Friedel Crafts acylation; Inert atmosphere; Stage #2: 1,2,4-Trimethylbenzene In dichloromethane Friedel Crafts acylation; Stage #3: With hydrogenchloride; water In dichloromethane | 81% |
1,2,4-Trimethylbenzene
(E)-5-phenyl-1-(4-methylphenyl)pent-4-en-2-yn-1-one
Conditions | Yield |
---|---|
Stage #1: 1,2,4-Trimethylbenzene; (E)-5-phenyl-1-(4-methylphenyl)pent-4-en-2-yn-1-one With trifluorormethanesulfonic acid In dichloromethane at 20℃; Stage #2: With water In dichloromethane | 80% |
Product Name:1,2,4-Trimethylbenzene
Synonyms:1,3,4-TRIMETHYLBENZENE;1,2,4-TRIMETHYLBENZENE;PSI-CUMENE;PSEUDOCUMENE;PSEUDOCUMOL;PSC;TRIMETHYLBENZENE;1,2,4-trimethyl-benzen
Molecular formula:C9H12
Molecular Weight:120.19
EINECS: 202-436-9
Merck:14,7915
Melting point:-44 °C
Boiling point:168 °C(lit.)
refractive index:n20/D 1.504(lit.)
Fp:120 °F
1,2,4-TRIMETHYL BENZENE is stored at 2-8°C .Its density is 0.88,vapor density is 4.1 (vs air),and vapor pressure is 4.5 mm Hg ( 37.7 °C).
1. | orl-rat LD50:5 g/kg | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,34. | ||
2. | ihl-rat LC50:18 g/m3/4H | GISAAA Gigiena i Sanitariya. 44 (5)(1979),15. | ||
3. | ipr-rat LDLo:1752 mg/kg | MEIEDD Merck Index. 10 (1983),1141. | ||
4. | ipr-gpg LDLo:1788 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 9 (1954),227. |
Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. Can cause central nervous system depression, anemia, bronchitis. Flammable liquid when exposed to heat, sparks, or flame. To fight fire, use foam, alcohol foam, mist. Emitted from modern building materials ( CENEAR Chemical and Engineering News. 69 (1991),22. ). When heated to decomposition it emits acrid smoke and irritating fumes.
1,2,4-TRIMETHYL BENZENE's Risk Statements:10-20-36/37/38-51/53-39/23/24/25-23/24/25-11
10:Flammable
11: Highly Flammable
20:Harmful by inhalation
36/37/38:Irritating to eyes, respiratory system and skin
51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
23/24/25:Toxic by inhalation, in contact with skin and if swallowed
1,2,4-TRIMETHYL BENZENE's Safety Statements:26-61-45-36/37-16-7
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
61:Avoid release to the environment. Refer to special instructions safety data sheet
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
16:Keep away from sources of ignition - No smoking
7:Keep container tightly closed
Hazard Codes:Xn,N,F,Xi,T
RIDADR:UN 3295 3/PG 3
WGK Germany:2
RTECS:DC3325000
Hazard Note:Irritant/Flammable
HazardClass:3
PackingGroup:III
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