3-methyl-phenol
tert-butyl alcohol
A
2-tert-Butyl-5-methylphenol
B
4,6-di-tert-butyl-m-cresol
Conditions | Yield |
---|---|
With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 74% B 8% |
With carbon tetrabromide at 175℃; for 6h; Sealed tube; | A 56% B 36% |
Conditions | Yield |
---|---|
With boron triiodide-N,N-diethylaniline In benzene for 3h; Ambient temperature; | 71% |
Conditions | Yield |
---|---|
Stage #1: tert-butyl alcohol With sulfuric acid; urea at 10 - 25℃; Stage #2: 3-methyl-phenol at 0 - 20℃; | 60% |
With phosphoric acid at 50 - 55℃; | |
With 4 A molecular sieve at 250℃; Product distribution; Further Variations:; Reagents; | |
With zinc(II) chloride |
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride |
Conditions | Yield |
---|---|
With phosphoric acid at 50 - 55℃; | |
With sulfuric acid |
Conditions | Yield |
---|---|
With aluminium cresylate | |
With hydrogenchloride; iron(III) chloride | |
With aluminium(III) phenoxide at 100℃; for 2h; |
3-methyl-phenol
isobutene
A
2-tert-Butyl-5-methylphenol
B
4,6-di-tert-butyl-m-cresol
Conditions | Yield |
---|---|
With sulfuric acid at 93℃; | |
With sulfuric acid at 90℃; |
2-bromo-1-(tert-butyl)-4-methylbenzene
tert.-butyl lithium
A
2-tert-Butyl-5-methylphenol
B
4-tert-butyltoluene
C
3,4-di-t-butyltoluene
Conditions | Yield |
---|---|
With Cu2Br2-Me2S; oxygen 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg to RT, 1 h; Multistep reaction; |
2-bromo-1-(tert-butyl)-4-methylbenzene
A
2-tert-Butyl-5-methylphenol
B
4-tert-butyltoluene
C
3,4-di-t-butyltoluene
Conditions | Yield |
---|---|
With Cu2Br2-Me2S; tert.-butyl lithium; oxygen 1.) hexane, THF,-78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h; Multistep reaction; | |
With Cu2Br2-Me2S; tert.-butyl lithium; oxygen 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h; Multistep reaction; |
2-methyl-propan-1-ol
phosphoric acid
3-methyl-phenol
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
at 60 - 80℃; |
sulfuric acid
3-methyl-phenol
isobutene
A
2-tert-Butyl-5-methylphenol
B
4,6-di-tert-butyl-m-cresol
Conditions | Yield |
---|---|
at 93℃; |
3-bromo-4-(tert-butyl)benzoic acid
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: conc. H2SO4 / 8 h / Heating 2: 86 percent / LiAlH4 / diethyl ether / 1 h / Ambient temperature 3: 90 percent / pyridinium dichromate / CH2Cl2 / 0.17 h 4: 67 percent / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / Heating 5: 1.) t-butyllithium, Cu2Br2-Me2S, 2.) O2 / 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h View Scheme |
methyl 3-bromo-4-(tert-butyl)benzoate
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 86 percent / LiAlH4 / diethyl ether / 1 h / Ambient temperature 2: 90 percent / pyridinium dichromate / CH2Cl2 / 0.17 h 3: 67 percent / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / Heating 4: 1.) t-butyllithium, Cu2Br2-Me2S, 2.) O2 / 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h View Scheme |
3-bromo-4-(tert-butyl)benzaldehyde
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 67 percent / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / Heating 2: 1.) t-butyllithium, Cu2Br2-Me2S, 2.) O2 / 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h View Scheme |
3-bromo-4-t-butylbenzyl alcohol
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 90 percent / pyridinium dichromate / CH2Cl2 / 0.17 h 2: 67 percent / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / Heating 3: 1.) t-butyllithium, Cu2Br2-Me2S, 2.) O2 / 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1: 44 percent / Br2, AgNO3, AcOH, Ac2O, conc. HNO3 / H2O / 1.) RT, 30 min, 2.) from RT to boiling, 1 h 2: conc. H2SO4 / 8 h / Heating 3: 86 percent / LiAlH4 / diethyl ether / 1 h / Ambient temperature 4: 90 percent / pyridinium dichromate / CH2Cl2 / 0.17 h 5: 67 percent / 80percent hydrazine hydrate, KOH / bis-(2-hydroxy-ethyl) ether / 3 h / Heating 6: 1.) t-butyllithium, Cu2Br2-Me2S, 2.) O2 / 1.) hexane, THF, -78 deg C, 1 h, 2.) from -78 deg C to RT, 1 h View Scheme |
3-methyl-phenol
tert-butyl alcohol
A
2-tert-Butyl-5-methylphenol
B
4-tert-butyl-3-methyl-phenol
C
tert-butyl 3-methylphenyl ether
D
3-methyl-2,6-di-tert-butyl-phenol
Conditions | Yield |
---|---|
With N,N,N-triethyl-N-butanesulfonic acid ammonium hydrogen sulfate In cyclohexane at 69.84℃; for 1h; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine / tetrahydrofuran / 40 h / 80 °C / Inert atmosphere 2: dihydrogen peroxide; sodium hydroxide / methanol; tetrahydrofuran / 1 h / 0 °C / Inert atmosphere View Scheme |
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
With dihydrogen peroxide; sodium hydroxide In tetrahydrofuran; methanol at 0℃; for 1h; Inert atmosphere; |
3-methyl-phenol
tert-butyl alcohol
A
2-tert-Butyl-5-methylphenol
B
4-tert-butyl-3-methyl-phenol
Conditions | Yield |
---|---|
With carbonized polymer-silica-triethanolamine-SO3H triphasic nanosphere at 129.84℃; for 2h; Reagent/catalyst; |
2-(1-methylethyl)phenol
B
2-tert-Butyl-5-methylphenol
C
2,4-diisopropyl-5-methylphenol
Conditions | Yield |
---|---|
With molybdenum(VI) oxide In ethanol at 280℃; for 4h; Inert atmosphere; |
2-tert-Butyl-5-methylphenol
4-Bromo-2-tert-butyl-5-methyl-phenol
Conditions | Yield |
---|---|
With tetra-N-butylammonium tribromide In methanol; dichloromethane at 20℃; for 1h; | 99% |
With N-Bromosuccinimide for 15h; Inert atmosphere; | 93% |
With N-Bromosuccinimide In N,N-dimethyl-formamide | 92% |
With N-Bromosuccinimide In N,N-dimethyl-formamide at 20℃; for 6h; | 87% |
With bromine In tetrachloromethane |
2-tert-Butyl-5-methylphenol
3-cyclohexylsalicyl alcohol
6-tert-Butyl-2-(3-cyclohexyl-2-hydroxy-benzyl)-3-methyl-phenol
Conditions | Yield |
---|---|
In xylene at 175℃; for 10h; | 97% |
Conditions | Yield |
---|---|
With 4,4'-di-tert-butylbiphenyl; 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate at 35℃; for 48h; Reagent/catalyst; Irradiation; | 97% |
Conditions | Yield |
---|---|
With sodium hydroxide; phosphonium resin In dichloromethane; water for 12h; Ambient temperature; | 96% |
With sodium hydroxide In dichloromethane; water Product distribution; Ambient temperature; various catalyst, various yield; |
2-tert-Butyl-5-methylphenol
methyl chloroacetate
methyl 2-(2-tert-butyl-5-methylphenoxy)acetate
Conditions | Yield |
---|---|
With potassium carbonate Heating / reflux; | 96% |
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
With sodium t-butanolate In tetrahydrofuran Schlenk technique; Inert atmosphere; | 96% |
2-tert-Butyl-5-methylphenol
α-(p-Methoxyphenyl)-malononitrile
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 60℃; for 15h; Inert atmosphere; Sealed tube; | 95% |
2-tert-Butyl-5-methylphenol
dimethyl 4-chlorophenylsulfonyloxymethylphosphonate
Conditions | Yield |
---|---|
With sodium hydride In dimethyl sulfoxide Ambient temperature; | 94% |
2-tert-Butyl-5-methylphenol
acetic anhydride
acetic acid-(2-tert-butyl-5-methyl-phenyl ester)
Conditions | Yield |
---|---|
93% |
2-tert-Butyl-5-methylphenol
propionaldehyde
4,4'-propylidenebis(3-methyl-6-tert-butylphenol)
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol at 10 - 20℃; for 7h; Reagent/catalyst; Temperature; Sealed tube; Inert atmosphere; | 92.4% |
With hydrogenchloride In nitromethane at 80 - 90℃; for 6h; | 17.4% |
With hydrogenchloride |
2-tert-Butyl-5-methylphenol
p-methoxyphenylmalononitrile dimer
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 60℃; for 15h; Inert atmosphere; Sealed tube; | 92% |
formaldehyd
2-tert-Butyl-5-methylphenol
2,2'-methylene-bis(6-tert.-butyl-3-methylphenol)
Conditions | Yield |
---|---|
In xylene at 175℃; for 10h; | 91% |
2-tert-Butyl-5-methylphenol
3-Chloro-2-methylpropene
1-tert-butyl-4-methyl-2-(2-methylallyloxy)benzene
Conditions | Yield |
---|---|
Stage #1: 2-tert-Butyl-5-methylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: 3-Chloro-2-methylpropene In N,N-dimethyl-formamide; mineral oil at 20℃; | 91% |
2-tert-Butyl-5-methylphenol
3-tert-butyl-2-hydroxybenzyl alcohol
6-tert-Butyl-2-(3-tert-butyl-2-hydroxy-benzyl)-3-methyl-phenol
Conditions | Yield |
---|---|
In xylene at 175℃; for 10h; | 89% |
Conditions | Yield |
---|---|
With oxygen; potassium carbonate In 1,2-dichloro-benzene at 130℃; for 6h; | 89% |
diethyl iodomethanephosphonate
2-tert-Butyl-5-methylphenol
4-tert-butyl-3-ethoxytoluene
Conditions | Yield |
---|---|
With sodium hydride In N,N,N,N,N,N-hexamethylphosphoric triamide for 2.5h; | 88% |
2-tert-Butyl-5-methylphenol
6-tert-Butyl-2-hydroxymethyl-3-methyl-phenol
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane; xylene at 135℃; for 12h; | 87% |
Conditions | Yield |
---|---|
With oxygen; potassium carbonate In 1,2-dichloro-benzene at 130℃; for 6h; | 86% |
5-methyl-3-phenyl-1-benzofuran-2(3H)-one
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 60℃; for 15h; Inert atmosphere; Sealed tube; | 86% |
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 60℃; for 18h; Inert atmosphere; Sealed tube; | 85% |
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
With N-Bromosuccinimide In Petroleum ether at 20℃; for 3h; | 83% |
With N-Bromosuccinimide In tetrachloromethane at 20℃; | 60% |
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
With sodium hypochlorite; sodium iodide; sodium hydroxide In methanol; water at -2 - 0℃; for 6h; | 83% |
Conditions | Yield |
---|---|
With 4,4'-di-tert-butylbiphenyl; 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate at 35℃; for 48h; Irradiation; | 83% |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 60℃; for 15h; Inert atmosphere; Sealed tube; | 83% |
2-tert-Butyl-5-methylphenol
2-tert-butyl-5-methyl-[1,4]benzoquinone-4-oxime
Conditions | Yield |
---|---|
In water; isopropyl alcohol | 82.9% |
With hydrogenchloride; sodium nitrite |
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water for 2h; Reflux; | 82% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite In ethanol; hexane; water; ethyl acetate | 81% |
With hydrogenchloride; sodium nitrite In ethanol; water at 0℃; | |
With concentrated hydrochloric acid; sodium nitrite In ethanol; hexane; water; ethyl acetate |
2-tert-Butyl-5-methylphenol
dimethyl <<(p-tolylsulfonyl)oxy>methyl>phosphonate
Conditions | Yield |
---|---|
With sodium hydride In dimethyl sulfoxide Ambient temperature; | 80% |
Conditions | Yield |
---|---|
With (S,S)-(+)-N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamino chromium(III) chloride at 20℃; for 15h; Sealed tube; regioselective reaction; | 79% |
2-tert-Butyl-5-methylphenol
Conditions | Yield |
---|---|
78% |
IUPAC Name: 2-tert-Butyl-5-methylphenol
Molecular Formula: C11H16O
Molecular Weight: 164.25 g/mol
Canonical SMILES: C(c1c(cc(C)cc1)O)(C)(C)C
InChI: InChI=1/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
EINECS: 201-842-3
Product Categories: Industrial / Fine Chemicals; Miscellaneous; Organics
Index of Refraction: 1.513
Molar Refractivity: 51.34 cm3
Molar Volume: 170.8 cm3
Polarizability: 20.35×10-24 cm3
Surface Tension: 32.5 dyne/cm
Density: 0.961 g/cm3
Flash Point: 105.6 °C
Enthalpy of Vaporization: 47.92 kJ/mol
Boiling Point: 224 °C at 760 mmHg
Melting Point: 20 °C
Solubility: Insoluble in water.
Vapour Pressure of 6-tert-Butyl-m-cresol (CAS NO.88-60-8): 0.0626 mmHg at 25 °C
6-tert-Butyl-m-cresol (CAS NO. 88-60-8) is used as organic synthesis intermediates,mainly for the production of phenolic antioxidants CA, antioxidant 300, antioxidant BBM.
6-tert-Butyl-m-cresol (CAS NO. 88-60-8) is derived from reaction of M-Cresol with Isobutylene in the presence of Aluminum chloride . Reaction carried out in concentrated sulfuric acid, the reaction temperature is 310-320 ℃. Reaction is complete, after neutralization, distillation, deriving 6-tert-Butyl-m-cresol.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1080mg/kg (1080mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949. |
Hazard Codes: Xn,C
Risk Statements: 22-36/37/38-34
R22:Harmful if swallowed.
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3145 8/PG 3
WGK Germany: 2
RTECS: SK1578180
HazardClass: 8
PackingGroup of 6-tert-Butyl-m-cresol (CAS NO.88-60-8): III
6-tert-Butyl-m-cresol (CAS NO.88-60-8), its Synonyms are 2-(1,1-Dimethylethyl)-5-methylphenol ; 2-tert-Butyl-5-methylphenol ; 3-Methyl-6-tert-butylphenol ; 5-Methyl-2-tert-butylphenol ; 6-tert-Butyl-3-methylphenol ; Benzene, 1-tert-butyl-2-hydroxy-4-methyl- ; Phenol, 2-(1,1-dimethylethyl)-5-methyl- ; Phenol, 2-tert-butyl-5-methyl- ; m-Cresol, 6-tert-butyl- (8CI) . It is clear colorless viscous liquid.
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