3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With ammonium hydroxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In ethanol at 50℃; for 18h; | 96% |
With ammonium hydroxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper(ll) bromide at 80℃; for 20h; | 96% |
With Iron(III) nitrate nonahydrate; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 60℃; for 3h; Schlenk technique; Green chemistry; | 96% |
Conditions | Yield |
---|---|
With sodium nitrate; acetic acid In water for 3h; Reflux; | 92% |
With potassium hydroxide; cetyltrimethylammonim bromide; potassium nitrate In water for 6h; pH=10 - 11; Reflux; | 81% |
A
3,4-dimethylbenzaldehyde
B
di(p-tolyl) disulfide
C
3,5-di(3,4-dimethylphenyl)-1,2,4,6-thiatriazine 1-oxide
D
3,4-dimethylbenzonitrile
Conditions | Yield |
---|---|
With tetrasulphure tetranitride In 1,4-dioxane for 7h; Heating; | A n/a B 86% C 22% D n/a |
3,4-dimethylbenzyl bromide
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With potassium nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water for 5h; Reflux; | 85% |
Conditions | Yield |
---|---|
Stage #1: o-xylene; N,N,N',N'-tetraformylhydrazine With aluminium trichloride In 1,2-dichloro-ethane at -15 - 1℃; for 19h; Stage #2: With water | A 9% B 77% |
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; formic acid; tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide at 60℃; under 760 Torr; Carbonylation; Electrochemical reaction; | 76% |
Conditions | Yield |
---|---|
Stage #1: o-xylene; tris(diformylamino)methane With aluminium trichloride In 1,2-dichloro-ethane at -19 - 0℃; Stage #2: With water Heating; | 65% |
With aluminium trichloride In 1,2-dichloro-ethane at -19 - -1℃; for 15h; | 42% |
o-xylene
tris(diformylamino)methane
A
3,4-dimethylbenzaldehyde
B
3,3',4,4'-tetramethyl-1,2-diphenylethane
Conditions | Yield |
---|---|
With aluminium trichloride In 1,2-dichloro-ethane Product distribution; Further Variations:; reagent amount; | A 64% B 3% |
chloro-trimethyl-silane
3,4-dimethylbenzyl alcohol
Triphenylphosphine oxide
A
3,4-dimethylbenzaldehyde
B
Hexamethyldisiloxane
C
triphenylphosphine
Conditions | Yield |
---|---|
With 2,6-dimethylpyridine; tetrabutylammonium tetrafluoroborate In acetonitrile at 40℃; Electrochemical reaction; | A 61% B 10% C 72 %Spectr. |
3,4-dimethylstyrene
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With 1-hydroxy-pyrrolidine-2,5-dione; graphitic carbon nitride; oxygen In acetonitrile at 20℃; Inert atmosphere; Irradiation; | 60% |
Conditions | Yield |
---|---|
With aluminium trichloride In 1,2-dichloro-ethane at -30 - -4℃; for 12h; Formylation; | 43% |
Conditions | Yield |
---|---|
With oxygen; potassium carbonate In 1,4-dioxane at 60℃; for 48h; | A 40% B 20% C 30% |
Conditions | Yield |
---|---|
With aluminum (III) chloride In chlorobenzene at -12 - 18℃; for 22h; | 37% |
Conditions | Yield |
---|---|
With aluminium trichloride In chlorobenzene at -15 - -6℃; for 16h; Product distribution; Further Variations:; Temperatures; Reagents; Solvents; ratio; addition sequence; Formylation; condensation; | A 30% B n/a |
o-xylene
carbon monoxide
A
3,4-dimethylbenzaldehyde
B
5-formyl-2,3-dimethylbenzenesulfonyl fluoride
Conditions | Yield |
---|---|
With antimony pentafluoride; fluorosulphonic acid at 0℃; under 760 Torr; for 96h; Yield given; | A 6% B n/a |
Conditions | Yield |
---|---|
With hydrogenchloride; aluminium trichloride Zersetzung des Reaktionsproduktes mit Eis und Salzsaeure; |
Conditions | Yield |
---|---|
With aluminium trichloride; hydrogen cyanide at 100℃; Einleiten von HCl und anschliessend Behandeln mit Eis und wss. HCl; | |
Multi-step reaction with 2 steps 1: aluminium chloride 2: diluted alkali View Scheme | |
Multi-step reaction with 3 steps 1: aluminium chloride 2: diluted alkali View Scheme |
Conditions | Yield |
---|---|
With manganese(IV) oxide; sulfuric acid | |
With sulfuric acid In acetonitrile at 50 - 80℃; for 24h; Reagent/catalyst; |
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With permanganate(VII) ion; acetone |
Conditions | Yield |
---|---|
With diluted alkali |
3,4-dimethyl-benzoic acid-(N-methyl-anilide)
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With tetrahydrofuran; lithium aluminium tetrahydride |
3,4-dimethylphenylmagnesium bromide
ethyl N-phenylformimidate
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With diethyl ether anschliessend mit wss.HCl; |
3,4-dimethylbenzoyl chloride
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With Pd-BaSO4; xylene at 140 - 150℃; Hydrogenation; |
Conditions | Yield |
---|---|
With hydrogenchloride; diethyl ether; tin(ll) chloride Erwaermen des Reaktionsprodukts mit H2O; |
Conditions | Yield |
---|---|
titanium tetrachloride Irradiation; |
(3,4-Dimethyl-phenyl)-nitromethan
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With potassium permanganate |
o-xylene
carbon monoxide
A
3,4-dimethylbenzaldehyde
B
2,3-dimethylbenzaldehyde
Conditions | Yield |
---|---|
With antimony pentafluoride; fluorosulphonic acid at 0℃; under 760 Torr; for 1h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
(4R,5R)-1-C-(1,2-dimethyl-4-nitrocyclohex-1-en-5-yl)carbaldehyde
A
3,4-dimethylbenzaldehyde
B
4,5-dimethylcyclohexa-1,4-diene-1-carbaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In methanol for 1h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
3,4-dimethylbenzaldehyde
acetone
(E)-4-(3,4-dimethylphenyl)but-3-en-2-one
Conditions | Yield |
---|---|
With sodium hydroxide In water at 0 - 25℃; for 6h; | 100% |
With sodium hydroxide | |
With sodium hydroxide In water at 25℃; for 12h; |
3-{[bis-(2-hydroxy-propyl)-amino]-methyl}-N-(3-hydrazinocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-benzamide
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
In toluene at 20℃; for 15h; Heating / reflux; | 100% |
3,4-dimethylbenzaldehyde
cis, trans-1,3-dimethylaminocyclohexane
C26H34N2
Conditions | Yield |
---|---|
In methanol at 20℃; Molecular sieve; | 100% |
In methanol at 20℃; Molecular sieve; |
3,4-dimethylbenzaldehyde
N-prenyl-N-propargyltosylamide
C24H29NO3S
Conditions | Yield |
---|---|
Stage #1: N-prenyl-N-propargyltosylamide With ethylmagnesium bromide In tetrahydrofuran at 50℃; for 1h; Stage #2: 3,4-dimethylbenzaldehyde In tetrahydrofuran at 20℃; for 3h; | 100% |
Stage #1: N-prenyl-N-propargyltosylamide With ethylmagnesium bromide In tetrahydrofuran at 50℃; for 1h; Stage #2: 3,4-dimethylbenzaldehyde In tetrahydrofuran at 20℃; for 3h; |
diethoxyphosphoryl-acetic acid ethyl ester
3,4-dimethylbenzaldehyde
(E)-ethyl 3-(3,4-dimethylphenyl)acrylate
Conditions | Yield |
---|---|
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With lithium chloride In tetrahydrofuran at 20℃; for 0.25h; Horner-Wadsworth-Emmons Olefination; Inert atmosphere; Stage #2: 3,4-dimethylbenzaldehyde With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran Horner-Wadsworth-Emmons Olefination; Inert atmosphere; | 100% |
With tetrabutyl ammonium fluoride In tetrahydrofuran at 30℃; for 4h; Glovebox; | 99% |
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 3,4-dimethylbenzaldehyde In tetrahydrofuran |
3,4-dimethylbenzaldehyde
D-sorbitol
1,3:2,4-di-O-(3,4-dimethylbenzylidene)-D-sorbitol
Conditions | Yield |
---|---|
toluene-4-sulfonic acid In acetonitrile at 20℃; for 12h; Product distribution / selectivity; | 99% |
With trimethyl orthoformate; bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 48h; Product distribution / selectivity; | 99% |
With trimethyl orthoformate; bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 49h; Product distribution / selectivity; Heating / reflux; | 99% |
tetrahydrofuran-2,4-dione
1-Phenyl-3-methyl-5-aminopyrazole
3,4-dimethylbenzaldehyde
4-(3,4-dimethylphenyl)-3-methyl-1-phenyl-1H-furo[3,4-e]pyrazolo[3,4-b]pyridine-5(7H)-one
Conditions | Yield |
---|---|
With N-benzyl-N,N,N-triethylammonium chloride In water at 90℃; for 10h; | 97% |
With 1-n-butyl-3-methylimidazolim bromide at 95℃; for 2h; | 91% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-bis(mesityl)imidazolium chloride In dimethyl sulfoxide at 80℃; for 0.5h; | 97% |
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% |
3,4-dimethylbenzaldehyde
1,3-cylohexanedione
1-amino-5,5-dimethylcyclohexen-3-one
Conditions | Yield |
---|---|
With N-benzyl-N,N,N-triethylammonium chloride In water at 100℃; for 6h; | 96% |
N-(2-hydrazinocarbonyl-4-piperidin-1-yl-phenyl)-3,4-dimethoxy-benzamide
3,4-dimethylbenzaldehyde
Conditions | Yield |
---|---|
acetic acid In toluene at 20 - 90℃; for 16h; | 96% |
3,4-dimethylbenzaldehyde
guanidine hydrogen carbonate
cyclohexanone
(E)-8-(3,4-dimethylbenzylidene)-4-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-2-amine
Conditions | Yield |
---|---|
With sodium hydroxide at 70℃; for 0.25h; | 96% |
cycl-isopropylidene malonate
3,4-dimethylbenzaldehyde
dimedone
aniline
3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3-(3,4-dimethylphenyl)-N-phenylpropanamide
Conditions | Yield |
---|---|
With N-benzyl-N,N,N-triethylammonium chloride In water at 90℃; for 12h; | 96% |
Conditions | Yield |
---|---|
With polyacrylonitrile fiber modified with triethylenetetramine In water at 50℃; for 3h; Knoevenagel condensation; | 96% |
Conditions | Yield |
---|---|
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O); hydrogen In tert-Amyl alcohol at 30℃; under 760.051 Torr; for 12h; Green chemistry; | 96% |
With CdS(x)Se(1-x) x:0-1;; cesium acetate; para-thiocresol In toluene Sealed tube; Inert atmosphere; Irradiation; | 96% |
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O); isopropyl alcohol at 82℃; for 6h; Inert atmosphere; Schlenk technique; chemoselective reaction; | 94% |
2-acetylpyridine
3,4-dimethylbenzaldehyde
N-Cyanoguanidine
N-(4-(3,4-dimethylphenyl)-6-(pyridin-2-yl)pyrimidin-2-yl)cyanamide
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 80℃; for 1h; | 96% |
Conditions | Yield |
---|---|
With [silica-OSi(OMe)2C3H6(N2C3(CH3)H2)C4H8SO3H]HSO4 In water for 2h; | 96% |
With boron trifluoride diethyl etherate In dichloromethane Inert atmosphere; |
5-amino-1H-indole
3,4-dimethylbenzaldehyde
dimedone
8,9-dihydro-8,8-dimethyl-11-(3,4-dimethylphenyl)-3H-pyrrolo[3,2-a]acridin-10(6H,7H,11H)-one
Conditions | Yield |
---|---|
In ethanol for 10h; Reflux; | 96% |
3,4-dimethylbenzaldehyde
anthranilic acid nitrile
2-(3,4-dimethylphenyl)quinazolin-4(3Η)-one
Conditions | Yield |
---|---|
With 1,10-Phenanthroline; caesium carbonate; copper dichloride In water at 80℃; for 12h; | 96% |
Stage #1: anthranilic acid nitrile With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; butyraldehyde oxime In para-xylene at 70℃; Schlenk technique; Inert atmosphere; Stage #2: 3,4-dimethylbenzaldehyde In para-xylene at 110℃; for 4h; Inert atmosphere; Schlenk technique; | 83% |
Stage #1: anthranilic acid nitrile With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; butyraldehyde oxime In para-xylene at 70℃; for 12h; Schlenk technique; Stage #2: 3,4-dimethylbenzaldehyde In para-xylene at 20 - 110℃; for 4h; Schlenk technique; | 83% |
Molecule structure of 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7):
IUPAC Name: 3,4-Dimethylbenzaldehyde
Molecular Weight: 134.1751 g/mol
Molecular Formula: C9H10O
Melting Point: 225-226 °C
Index of Refraction: 1.551
Molar Refractivity: 42.65 cm3
Molar Volume: 133.6 cm3
Surface Tension: 36.1 dyne/cm
Density: 1.003 g/cm3
Flash Point: 97.7 °C
Enthalpy of Vaporization: 46.18 kJ/mol
Boiling Point: 225.3 °C at 760 mmHg
Vapour Pressure: 0.0871 mmHg at 25 °C
Sensitive: air sensitive
XLogP3: 2.7
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 134.073165
MonoIsotopic Mass: 134.073165
Topological Polar Surface Area: 17.1
Heavy Atom Count: 10
Canonical SMILES: CC1=C(C=C(C=C1)C=O)C
InChI: InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N
EINECS: 227-770-2
Product Categories: Benzene derivatives;Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;API intermediates;Aldehydes;C9;Carbonyl Compounds
3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is used for the preparation of pharmaceutical intermediates, nucleation transparent agent, spices, etc.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36/37-26
S24/25:Avoid contact with skin and eyes.
S36/37:Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant
3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is also named as Benzaldehyde, 3,4-dimethyl- . 3,4-Dimethylbenzaldehyde (CAS NO.5973-71-7) is clear colorless to yellowish liquid.
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