ethylene glycol
A
2,6-dimethylbenzoic acid
B
2-(4-methoxybenzyloxy)ethanol
Conditions | Yield |
---|---|
at 140℃; for 4h; | A 96% B n/a |
Conditions | Yield |
---|---|
Stage #1: 2-Bromo-m-xylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; hexane at -78 - 20℃; | 93.2% |
Stage #1: 2-Bromo-m-xylene With ethyl bromide; magnesium In diethyl ether Grignard reaction; Inert atmosphere; Reflux; Stage #2: carbon dioxide In diethyl ether at 20℃; Grignard reaction; Inert atmosphere; | 54% |
(i) Mg, (ii) /BRN= 1900390/; Multistep reaction; | |
(i) Mg, EtBr, Et2O, (ii) /BRN= 1900390/; Multistep reaction; |
carbon dioxide
2,6-dimethylbenzene boronic acid
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); potassium methanolate In tetrahydrofuran at 70℃; for 24h; Schlenk technique; Sealed tube; | 88% |
dicobalt octacarbonyl
2,6-dimethylphenyl trifluoromethanesulphonate
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane; water at 50℃; for 12h; Schlenk technique; Inert atmosphere; chemoselective reaction; | 82% |
2,6-dimethyl-N-(quinolin-8-yl)benzamide
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With sulfuric acid; water at 120℃; for 24h; | 80% |
dicobalt octacarbonyl
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane; water at 50℃; for 12h; Schlenk technique; Inert atmosphere; chemoselective reaction; | 79% |
ortho-methylbenzoic acid
dihydroxy-methyl-borane
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With dipotassium hydrogenphosphate; silver carbonate; p-benzoquinone; palladium diacetate In tert-butyl alcohol at 100℃; for 3h; | 75% |
Conditions | Yield |
---|---|
Stage #1: carbon dioxide With bis(1,5-cyclooctadiene)nickel (0); 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene In 1,3,5-trimethyl-benzene at 20℃; under 760.051 Torr; for 0.166667h; Schlenk technique; Stage #2: C10H14Si In 1,3,5-trimethyl-benzene at 160℃; for 20h; Schlenk technique; | 58% |
Conditions | Yield |
---|---|
With silver carbonate; p-benzoquinone; palladium diacetate In tert-butyl alcohol at 100℃; for 3h; | 50% |
dihydroxy-methyl-borane
2-methylbenzoic acid potassium salt
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With silver carbonate; p-benzoquinone; palladium diacetate In tert-butyl alcohol at 100℃; for 3h; | 48% |
Conditions | Yield |
---|---|
With potassium acetate; palladium diacetate at 80℃; under 760.051 Torr; for 24h; | 48% |
With potassium acetate; palladium diacetate at 80℃; for 24h; Schlenk technique; | 48% |
Conditions | Yield |
---|---|
Stage #1: 2-fluoro-m-xylene With C78H70Al2Cl4N6P4Rh2; magnesium; ethylene dibromide In tetrahydrofuran at 50℃; for 22h; Inert atmosphere; Glovebox; Stage #2: carbon dioxide In tetrahydrofuran at 20℃; under 760.051 Torr; for 0.5h; | 48% |
1,2,3-trimethylbenzene
A
2,6-dimethylbenzoic acid
B
2,3-dimethylbenzoic acid
Conditions | Yield |
---|---|
With air; acetic acid; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; manganese(II) acetate at 100℃; under 760 Torr; for 1h; | A 13% B 36% |
carbon monoxide
2,6-dimethylbenzenediazonium tetrafluoroborate
A
2,6-dimethylbenzoic acid
B
N-(2,6-dimethylphenyl)acetamide
C
2,6-Dimethylbenzoic anhydride
Conditions | Yield |
---|---|
With sodium acetate; palladium diacetate In acetonitrile under 6619.6 Torr; for 1h; Ambient temperature; | A 28% B 16% C 3% |
2,5-dimethylbenzamide
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With phosphoric acid at 145 - 150℃; |
4-amino-2,6-dimethyl benzoic acid
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
Diazotization.Reaktion ueber mehrere Stufen; |
2,2,2-trichloro-1-(2,6-dimethyl-phenyl)-ethanone
A
2,6-dimethylbenzoic acid
B
(2,6-dimethyl-phenyl)-hydroxy-acetic acid
Conditions | Yield |
---|---|
With sodium hydroxide |
(2,6-dimethyl-benzyl)-dimethyl-amine
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; potassium permanganate |
2,6-dimethylbenzoyl chloride
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With water In acetone at -20℃; Rate constant; |
Conditions | Yield |
---|---|
1) diazotation; Multistep reaction; | |
Multi-step reaction with 2 steps 1: (i) (diazotization), aq. HBr, (ii) Cu 2: (i) Mg, (ii) /BRN= 1900390/ View Scheme | |
Multi-step reaction with 2 steps 1: (i) NaNO2, aq. HBr, (ii) CuBr 2: (i) Mg, EtBr, Et2O, (ii) /BRN= 1900390/ View Scheme | |
Multi-step reaction with 2 steps 1: (i) NaNO2, aq. HCl, (ii) /BRN= 4652394/, CuSO4, aq. NH3, benzene 2: aq. H2SO4 / Heating View Scheme |
bis(2,6-dimethylbenzoyl) peroxide
A
2,6-dimethylbenzoic acid
B
m-xylene
Conditions | Yield |
---|---|
With 2,4,6-tri-tert-butylphenoxol In acetonitrile Ambient temperature; Irradiation; laser flash photolyses with 308-nm laser puses; Yield given. Yields of byproduct given; | |
With 2,4,6-tri-tert-butylphenoxol In acetonitrile Ambient temperature; Irradiation; Yield given. Yields of byproduct given; | |
In acetonitrile Product distribution; Mechanism; Irradiation; in the presence or absence of 2,4,6-tri-tert-butylphenol and/or dibenzoyl peroxide; structural and solvent effect upon decarboxylation investigated of various 2,6-disubstituited benzoyloxy radicals; |
ethanol
2,6-dimethylbenzoyl chloride
A
2,6-dimethylbenzoic acid
B
2,6-dimethylbenzoic acid ethyl ester
Conditions | Yield |
---|---|
With water at 10℃; Kinetics; Thermodynamic data; Product distribution; solvolysis examined; var. solvents and ratio of ones; mechanism; ΔH(excit.), ΔS(excit.); |
Conditions | Yield |
---|---|
(i) Mg, EtBr, I2, (ii) /BRN= 1900390/; Multistep reaction; |
Conditions | Yield |
---|---|
With sulfuric acid Heating; | |
Multi-step reaction with 2 steps 1: concentrated sulfuric acid / 75 - 80 °C 2: phosphoric acid / 145 - 150 °C View Scheme |
4-chloro-2,6-dimethyl benzoic acid
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; nickel |
methanol
methyl 2,6-dimethylbenzoate
A
7-methyl-3H-isobenzofuran-1-one
B
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; N-Bromosuccinimide 1.) CCl4, reflux, 3 h, irradiation, 2.) reflux, 35 h; Yield given. Multistep reaction. Yields of byproduct given; |
methylammonium carbonate
2,6-dimethylbenzoic acid
methylammonium carbonate
2,6-dimethylbenzoic acid
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
durch Verseifung; |
2,6-dimethylbenzoic acid
2,6-dimethylbenzyl alcohol
Conditions | Yield |
---|---|
With Trimethyl borate; dimethylsulfide borane complex In tetrahydrofuran for 72h; Ambient temperature; | 100% |
Stage #1: 2,6-dimethylbenzoic acid With borane-THF In tetrahydrofuran at 0 - 20℃; for 64.3333h; Stage #2: With methanol In tetrahydrofuran | 99% |
With borane-THF In tetrahydrofuran at 0 - 20℃; for 64.3h; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 20℃; | 100% |
With potassium carbonate In acetone at 20℃; for 4h; | 93% |
With potassium hydroxide | |
With potassium carbonate at 25℃; for 1h; |
Conditions | Yield |
---|---|
100% |
Conditions | Yield |
---|---|
In methanol; dichloromethane at 20℃; for 6h; | 100% |
Conditions | Yield |
---|---|
With water In ethanol at 0 - 20℃; for 0.0833333h; | 100% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In toluene at 0 - 20℃; for 5h; | 99.9% |
Conditions | Yield |
---|---|
silver trifluoromethanesulfonate; iron(III) chloride In 1,2-dichloro-ethane at 80℃; | 99% |
Conditions | Yield |
---|---|
With [{Au(IPr)}2(μ-OH)][BF4] In neat (no solvent) at 80℃; for 15h; regioselective reaction; | 99% |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid at 0℃; for 1.5h; | 98% |
With sulfuric acid; nitric acid at 0℃; for 1h; | |
With nitric acid; acetic acid In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; sulfuric acid |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; sodium acetate; tetra-(n-butyl)ammonium iodide In tetrahydrofuran; water at 80℃; for 12h; | 98% |
With tert.-butylhydroperoxide; sodium acetate; tetra-(n-butyl)ammonium iodide In tetrahydrofuran; water at 80℃; for 12h; | 96% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere; | 97% |
With potassium carbonate In N,N-dimethyl-formamide at 0 - 25℃; for 5h; Inert atmosphere; | 95% |
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere; | 89% |
Conditions | Yield |
---|---|
With C19H27NO2 In n-heptane at 23℃; Darkness; Green chemistry; | 97% |
With N-Bromosuccinimide; C25H44NO2PS In chloroform at 25℃; for 20h; Darkness; regioselective reaction; | 90% |
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide Ambient temperature; | 96.3% |
2,6-dimethylbenzoic acid
2,6-dimethylcyclohexa-2,5-diene-1-carboxylic acid
Conditions | Yield |
---|---|
With ammonia; sodium In ethanol at -50℃; Birch reduction; | 96% |
With tert-Amyl alcohol; lithium In tetrahydrofuran; ammonia Birch Reduction; Reflux; liquid NH3; | 90% |
With N,N'-Dimethylurea; tris(pyrrolidino)phosphine oxide; lithium bromide In tetrahydrofuran Electrochemical reaction; | 90% |
2,6-dimethylbenzoic acid
2,6-Dimethylbenzoic anhydride
Conditions | Yield |
---|---|
With 2,6-dimethylpyridine; tris(2,2'-bipyridyl)ruthenium dichloride; carbon tetrabromide; N,N-dimethyl-formamide at 25 - 30℃; for 12h; Inert atmosphere; Photolysis; | 96% |
With potassium carbonate; p-toluenesulfonyl chloride In dichloromethane; acetonitrile at 20℃; for 48h; | 94% |
With copper(II) bis(trifluoromethanesulfonate) at 80℃; for 0.5h; | 81% |
Conditions | Yield |
---|---|
With sulfuric acid at 100℃; for 12h; Sealed tube; | 95% |
2,6-dimethylbenzoic acid
(R)-[1-(naphthalen-2-yl)ethyl]amine
2,6-dimethyl-N-[(R)-1-(2-naphthyl)ethyl]benzamide
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 23℃; Combinatorial reaction / High throughput screening (HTS); Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 94% |
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With silver carbonate; cobalt acetylacetonate In 1,2-dichloro-ethane at 100℃; for 3h; | 94% |
2,6-dimethylbenzoic acid
carbonic acid dimethyl ester
methyl 2,6-dimethylbenzoate
Conditions | Yield |
---|---|
With tributyl-amine In N,N-dimethyl-formamide at 285℃; under 112511 Torr; for 0.05h; | 93% |
With sulfuric acid at 80 - 85℃; for 8h; Neat (no solvent); | 74.5% |
Conditions | Yield |
---|---|
With C19H27NO2 In n-heptane at 23℃; Darkness; Green chemistry; | 93% |
2,6-dimethylbenzoic acid
Conditions | Yield |
---|---|
With silver carbonate; cobalt acetylacetonate In 1,2-dichloro-ethane at 100℃; for 3h; | 92% |
Conditions | Yield |
---|---|
With C19H27NO2 In n-heptane at 23℃; Darkness; Green chemistry; | 92% |
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In 1,4-dioxane at 20℃; for 0.5h; Mitsunobu Displacement; Inert atmosphere; stereoselective reaction; | 92% |
Conditions | Yield |
---|---|
With potassium fluoride In acetonitrile at 20℃; for 12h; Cooling with ice; | 91% |
Conditions | Yield |
---|---|
With C19H27NO2 In n-heptane at 23℃; Darkness; Green chemistry; | 91% |
Methyl trichloroacetate
2,6-dimethylbenzoic acid
methyl 2,6-dimethylbenzoate
Conditions | Yield |
---|---|
With 18-crown-6 ether; potassium carbonate at 90 - 150℃; for 2h; | 90% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water; ethyl acetate at 80℃; for 12h; | 90% |
Molecular Structure of 2,6-Dimethylbenzoic acid (CAS NO.632-46-2):
IUPAC Name: 2,6-dimethylbenzoic acid
Empirical Formula: C9H10O2
Molecular Weight: 150.1745
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.3Å2
Index of Refraction: 1.55
Molar Refractivity: 42.833 cm3
Molar Volume: 134.513 cm3
Surface Tension: 43.118 dyne/cm
Density: 1.116 g/cm3
Flash Point: 126.126 °C
Enthalpy of Vaporization: 53.987 kJ/mol
Boiling Point: 272.765 °C at 760 mmHg
Vapour Pressure: 0.003 mmHg at 25°C
Melting point: 114-116 °C(lit.)
InChI
InChI=1/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
Smiles
c1(c(cccc1C)C)C(O)=O
EINECS: 211-177-0
Product Categories: Carboxylicacid; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Benzoic acid Series
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 178mg/kg (178mg/kg) | BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968. |
2,6-Dimethylbenzoic acid is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of WATER and seek medical advice.Wearing suitable protective clothing and avoiding contact with skin and eyes.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: DG8734010
HS Code: 29163900
2,6-Dimethylbenzoic acid , with CAS number of 632-46-2, can be called 2,6-Dimethylbenzoicacid ; benzoic acid, 2,6-dimethyl- . It is a white to pale cream crystalline powder. 2,6-Dimethylbenzoic acid (CAS NO.632-46-2) is mainly used as organic reagents and pharmaceutical intermediates.
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