Conditions | Yield |
---|---|
With dinitrogen tetraoxide; ferric nitrate In dichloromethane Ambient temperature; further oxidizing agent, further conditions and solvents; | 100% |
In ethanol at 40℃; for 9h; | 100% |
With TGSE; sodium hydrogencarbonate; sodium carbonate In water for 1.66667h; Electrochemical reaction; | 100% |
Conditions | Yield |
---|---|
With oxygen; 10-methyl-9-phenylacridin-10-ium perchlorate In chloroform at 24.84℃; for 10h; Oxidation; Pyrolysis; visible light; | 100% |
With sulfuric acid; 9-mesityl-2,7,10-trimethylacridinium perchlorate; water; oxygen In acetonitrile at 24.84℃; for 1.33333h; Quantum yield; Reagent/catalyst; Irradiation; | 100% |
With N-hydroxyphthalimide; oxygen; cobalt(II) acetate; acetic acid at 20℃; under 760.051 Torr; chemoselective reaction; | 100% |
4-methylbenzaldehyde semicarbazone
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride; Tonsil In ethyl acetate for 2h; Heating; | 100% |
With copper(II) sulfate In tetrahydrofuran; methanol; water for 48h; Heating; | 95% |
With potassium permanganate; montmorillonite K-10 for 0.25h; | 94% |
Conditions | Yield |
---|---|
With [NO(1+)*18-crown-6*H(NO3)2(1-)]; silica gel In dichloromethane at 20℃; for 0.0833333h; | 100% |
With sulphated zirconia In acetonitrile at 60℃; for 0.3h; Microwave irradiation; | 100% |
With Montmorillonite K10 In dichloromethane for 0.333333h; Heating; | 99% |
p-tolualdehyde p-toluenesulfonylhydrazone
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With copper(II) sulfate In tetrahydrofuran; methanol; water for 48h; Heating; | 100% |
With Cr-MCM-41 zeolite on silica gel for 0.15h; microwave irradiation; | 98% |
Amberlyst 15 In water; acetone at 80℃; for 24h; | 86% |
With polymer-supported phenyliodine(III) diacetate; water In dichloromethane at 20℃; for 2h; Oxidation; | 78% |
Conditions | Yield |
---|---|
With copper(II) sulfate In tetrahydrofuran; methanol; water for 6.5h; Heating; | 100% |
With benzyltriphenylphosphonium peroxodisulfate In acetonitrile for 0.133333h; Heating; | 95% |
With CuCl*Kieselghur; oxygen In dichloromethane at 20℃; for 0.5h; | 94% |
N,N-diethyl-4-methylselenobenzamide
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0℃; for 3h; | 100% |
trimethyl(4-methylbenzyloxy)silane
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With nitrogen dioxide at 20℃; for 0.0833333h; | 100% |
With phosphomolybdic acid In toluene for 0.166667h; Heating; | 97% |
With allyltriphenylphopsphonium peroxodisulfate In acetonitrile for 0.25h; Heating; | 96% |
Conditions | Yield |
---|---|
With sodium periodate; C31H29Br2N3Ru*CH2Cl2 In water; ethyl acetate; acetonitrile at 25℃; for 0.5h; Inert atmosphere; Schlenk technique; | 100% |
With tert.-butylhydroperoxide; manganese(II,III) oxide In acetonitrile at 70℃; for 3h; | 98% |
With iron(III) trifluoromethanesulfonate; 2-((4R,5R)-1-((4-(tert-butyl)phenyl)sulfonyl)-4,5-diphenylimidazolidin-2-yl)-6-((4R,5R)-1-((4-(tert-butyl)phenyl)sulfonyl)-4,5-diphenylimidazolidin-2-yl)pyridine; oxygen In 1,2-dichloro-ethane at 70℃; under 760.051 Torr; for 6h; Reagent/catalyst; Solvent; Green chemistry; chemoselective reaction; | 96% |
N-(2-hydroxyl-1-(2-pyridyl)-2-(4-methylphenyl)ethyl)benzenecarbothioamide
A
bis(3-phenyl-1-imidazo[1,5-a]pyridyl)-4-methylphenylmethane
B
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With pyridine; iodine In tetrahydrofuran at 20℃; for 0.5h; | A 100% B n/a |
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With α,α-diphenyl-2-pyrrolidinemethanol trimethylsilyl ether In chloroform at 20℃; for 24h; regioselective reaction; | 100% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid at 24.85℃; under 56886.3 Torr; for 0.5h; Product distribution; Further Variations:; Pressures; Temperatures; | 99.1% |
With 1,10-Phenanthroline; triphenylphosphine; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; scandium tris(trifluoromethanesulfonate); 1-n-butyl-3-methylimidazolium hexafluoroantimonate; cerium triflate at 50℃; under 15001.5 Torr; for 5h; Reagent/catalyst; Autoclave; Inert atmosphere; | 76.8% |
With trifluorormethanesulfonic acid under 95000.1 Torr; for 4h; Ambient temperature; | 72 % Chromat. |
Conditions | Yield |
---|---|
Stage #1: 4-methylbenzoic acid ethyl ester With morpholine; diisobutylaluminium hydride In tetrahydrofuran; hexane at 0℃; for 3.16667h; Inert atmosphere; Stage #2: With diisobutylaluminium hydride In tetrahydrofuran; hexane at 0℃; for 0.166667h; Inert atmosphere; | 99% |
With sodium tris(diethylamino)aluminum hydride In tetrahydrofuran; dodecane at 0℃; for 24h; | 93% |
With phenylsilane; cobalt(II) diacetate tetrahydrate; sodium triethylborohydride In 1,2-dimethoxyethane; toluene at 25℃; for 15h; Inert atmosphere; Schlenk technique; | 92% |
1,2-di-p-tolyl-ethanone
aniline
A
4-methyl-N-phenylbenzamide
B
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With 1,10-Phenanthroline; copper(II) chloride dihydrate; oxygen In acetonitrile under 760.051 Torr; for 24h; Reflux; | A 99% B n/a |
para-xylene
A
terephthalic acid
B
4-methyl-benzaldehyde
C
4-Carboxybenzaldehyde
D
p-Toluic acid
Conditions | Yield |
---|---|
With hydrogen bromide; oxygen; acetic acid; cobalt(II) acetate; manganese(II) acetate In water at 190℃; under 16501.7 Torr; for 1h; Product distribution / selectivity; | A 98.1% B 0.2% C 0.4% D 0.4% |
With oxygen; acetic acid; palladium diacetate; antimony(III) acetate In water at 182 - 195℃; under 16501.7 - 20929.4 Torr; for 1 - 1.5h; Product distribution / selectivity; | A 50.3% B 7.2% C 6.4% D 6.2% |
With hydrogen bromide; oxygen; acetic acid; zirconium oxyacetate; cobalt(II) acetate In water at 190℃; under 16501.7 Torr; for 1h; Product distribution / selectivity; | A 4.9% B 3% C 1.9% D 36.9% |
Conditions | Yield |
---|---|
With water; sodium hydroxide at 20℃; for 0.05h; Microwave irradiation; | 98% |
With 4-methylmorpholine N-oxide; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride; potassium iodide at 100℃; for 0.0333333h; Microwave irradiation; Ionic liquid; | 94% |
With 1-dodecyl-3-methylimidazolium iron chloride; periodic acid at 30℃; for 1.5h; | 93% |
p-methylbenzaldehyde oxime
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With CuCl*Kieselghur; oxygen In dichloromethane at 20℃; for 0.333333h; | 98% |
Stage #1: p-methylbenzaldehyde oxime With hexachlorodisilane; silica gel In toluene at 110℃; for 0.5h; Stage #2: With water In toluene for 0.5h; | 97% |
In dichloromethane at 20℃; for 4h; | 96% |
2-((4-methylbenzyl)oxy)tetrahydro-2H-pyran
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With zeofen (zeolite HZSM-5, Fe(NO3)3*9H2O) In dichloromethane for 6h; Heating; | 98% |
With chromium(VI) oxide; HZSM-5 zeolite for 0.0333333h; microwave irradiation; | 95% |
With NTPPPODS In acetonitrile for 0.166667h; Reflux; | 94% |
C16H18OSe
A
4-methylbenzyl nitrate
B
p-methylbenzeneseleninic acid
C
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With nitric acid In dichloromethane at -5 - 0℃; for 1h; | A 98% B n/a C n/a D n/a E n/a |
With nitric acid In dichloromethane at -5 - 0℃; for 1h; | A n/a B 98% C n/a D n/a E n/a |
Conditions | Yield |
---|---|
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-methyl-N-[3-(4-diacetoxyiodo)phenoxy-1-propyl]pyrrolidinium 4-methylbenzenesulfonate In dichloromethane at 20℃; for 1.5h; Inert atmosphere; | 98% |
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride for 0.0416667h; Product distribution; Ambient temperature; pH = 4-6, regeneration of aldehyde; | 97.1% |
Conditions | Yield |
---|---|
With lithium diisobutylmorpholinoaluminum hydride In tetrahydrofuran; hexane at 0℃; for 0.5h; | 97% |
With calcium bis(hypophosphite); calcium acetate; nickel(II) acetate tetrahydrate In ethanol; water at 100℃; for 7h; Sealed tube; | 94% |
With C13H26B(1-)*K(1+) In tetrahydrofuran for 24h; Ambient temperature; | 83% |
Conditions | Yield |
---|---|
With water; sodium hydroxide at 20℃; for 0.0666667h; Microwave irradiation; | 97% |
With dihydrogen peroxide In ethanol for 4h; Reflux; Green chemistry; | 95% |
With 1-dodecyl-3-methylimidazolium iron chloride; periodic acid at 30℃; for 1.5h; | 93% |
1-((phenylthio)(p-tolyl)methylthio)benzene
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With sodium perborate In acetic acid at 25℃; for 2h; | 97% |
With oxygen; 2,4,6-tris(p-chlorophenyl)pyrylium perchlorate In dichloromethane for 0.2h; Irradiation; | 83% |
Conditions | Yield |
---|---|
With potassium permanganate; Amberlite IR-120; water In dichloromethane at 20℃; for 0.333333h; | 97% |
With sulfuric acid; quinolinium dichromate(VI) In acetic acid at 29.9℃; Rate constant; Thermodynamic data; ΔHact, ΔSact, ΔGact; var. concentration of reagents; | |
Multi-step reaction with 2 steps 1: magnesium chloride; ATP / 20 h / pH 7.5 / Enzymatic reaction 2: water / 14 h / 30 °C / Enzymatic reaction View Scheme |
N-methoxy-N,4-dimethylbenzamide
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With lithium diisobutyl-tert-butoxyaluminum hydride In tetrahydrofuran; hexane at 0℃; Reagent/catalyst; Inert atmosphere; chemoselective reaction; | 97% |
With benzoic acid ethyl ester; copper diisobutyl-t-butoxyaluminum hydride In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; chemoselective reaction; | 96 %Chromat. |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; tetrakis(pyridine)silver(II) peroxodisulfate; oxygen In N,N-dimethyl-formamide at 23℃; under 760.051 Torr; Irradiation; | 97% |
Conditions | Yield |
---|---|
With polyaniline-sulfate salt; water for 0.5h; Heating; | 96% |
With silica-OSO3H; silica gel In toluene at 60 - 70℃; for 1h; | 94% |
In(OSO2CF3)3 In acetone at 20℃; for 4h; | 92% |
2-(4-methylphenyl)-1,3-dithiolane
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With tetrachlorosilane; dimethyl sulfoxide In dichloromethane at 20℃; for 0.583333h; | 96% |
With silica gel In neat (no solvent) at 20℃; for 0.05h; | 96% |
With sodium nitrate; sulfuric acid; silica gel; 4-nitrobenzylidene diacetate In dichloromethane at 20℃; for 0.25h; | 93% |
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate In acetonitrile at 40℃; for 0.5h; Irradiation; | A 96% B n/a |
With ammonium cerium(IV) nitrate In acetonitrile at 40℃; for 0.5h; Mechanism; Irradiation; | A 96% B n/a |
ammonium cerium(IV) nitrate; sodium dodecyl-sulfate In water at 25℃; for 3h; | A 3.95 mmol B 3.10 mmol |
With ammonium cerium(IV) nitrate; sodium dodecyl-sulfate In water at 25℃; for 3h; Title compound not separated from byproducts; | A 3.95 mmol B 3.10 mmol |
With sodium dodecyl-sulfate; ammonium cerium(IV) nitrate In water at 25℃; for 3h; Product distribution; other reagents, solvents, reac. time; | A 3.95 mmol B 3.1 mmol |
Nitroethane
4-methyl-benzaldehyde
1-(p-tolyl)-2-nitropropene
Conditions | Yield |
---|---|
With ammonium acetate at 110℃; for 16h; | 100% |
With (2-hydroxyethyl)ammonium formate at 20℃; for 4.1h; Knoevenagel condensation; Ionic liquid; | 95% |
With ammonium acetate at 120℃; for 2h; | 95% |
Conditions | Yield |
---|---|
With C62H54N2O2; copper diacetate In ethanol at 10℃; for 48h; Henry Nitro Aldol Condensation; enantioselective reaction; | 100% |
With C62H48CuN2O2; copper diacetate; benzaldehyde In ethanol at 10℃; for 48h; Reagent/catalyst; Henry Nitro Aldol Condensation; | 100% |
With (2-hydroxyethyl)ammonium formate at 20℃; for 0.8h; Knoevenagel condensation; Ionic liquid; | 95% |
4-methyl-benzaldehyde
ethane-1,2-dithiol
2-(4-methylphenyl)-1,3-dithiolane
Conditions | Yield |
---|---|
With silica gel; toluene-4-sulfonic acid In dichloromethane for 1.5h; Heating; | 100% |
With Cu(OTf)2-SiO2 for 0.5h; Ambient temperature; | 99% |
With PPA; silica gel In 1,2-dichloro-ethane at 20℃; for 0.5h; | 99% |
4-methyl-benzaldehyde
phenylhydrazine
4-methylbenzaldehyde phenylhydrazone
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In dichloromethane | 100% |
In neat (no solvent) at 20℃; for 0.00277778h; | 97% |
With oxidized single-walled carbon nanotubes(SWCNs-COOH) In ethanol at 80℃; for 1.25h; | 96% |
4-methyl-benzaldehyde
methylamine
p-methylbenzylidene-methylamine
Conditions | Yield |
---|---|
at 20℃; for 12h; | 100% |
In methanol; dichloromethane for 18h; Molecular sieve; | 86% |
Conditions | Yield |
---|---|
In chloroform at 20℃; for 1h; | 100% |
for 6h; Kinetics; Molecular sieve; Reflux; | 100% |
With magnesium sulfate In dichloromethane at 20℃; Inert atmosphere; | 65% |
Conditions | Yield |
---|---|
With diisopropoxytitanium(III) tetrahydroborate In dichloromethane at -20℃; for 0.133333h; | 100% |
With sodium tetrahydroborate In methanol at 20℃; for 1h; | 100% |
With hydrogen at 30℃; under 22502.3 Torr; for 10h; Temperature; Autoclave; Sealed tube; Ionic liquid; chemoselective reaction; | 100% |
4-methyl-benzaldehyde
1,2-di-p-tolylethane-1,2-diol
Conditions | Yield |
---|---|
With aluminium; potassium hydroxide In methanol at 0℃; for 1h; Inert atmosphere; | 100% |
With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; acetic acid In dichloromethane at 25℃; for 16h; Michael Addition; Inert atmosphere; Irradiation; | 99% |
With naphthalene; lithium; manganese(ll) chloride In tetrahydrofuran at 22 - 26℃; for 1h; sonication; | 98% |
Conditions | Yield |
---|---|
With phosphate-buffered silica gel supported KMnO4 In cyclohexane at 65℃; | 100% |
With periodic acid; tripropylammonium fluorochromate (VI) In acetonitrile at 0℃; for 1.5h; | 100% |
With [Cu2C6H4(CHNCH2CH2N(CH2C5H4N)2)2](2+)*2ClO4(1-)=C36H38Cu2N8(ClO4)2; oxygen In acetone at -90.16℃; | 100% |
Conditions | Yield |
---|---|
With hydrogenchloride; antimony In water for 16h; | 100% |
With titanium(III) chloride; tin(ll) chloride In water at 20℃; for 8h; Barbier reaction; | 100% |
With tin(ll) chloride In water at 20℃; for 24h; | 99% |
4-methyl-benzaldehyde
ethyl 2-cyanoacetate
ethyl (E)-2-cyano-3-p-tolylacrylate
Conditions | Yield |
---|---|
With L-proline for 0.0833333h; Knoevenagel condensation; microwave irradiation; | 100% |
With 1,4-diaza-bicyclo[2.2.2]octane In neat liquid at 20℃; for 0.0166667h; Knoevenagel Condensation; Green chemistry; | 100% |
With ASCPEI In ethanol at 43℃; for 3h; Knoevenagel condensation; | 99% |
4-methyl-benzaldehyde
malononitrile
2-(4-methylbenzylidene)malononitrile
Conditions | Yield |
---|---|
With L-arginine at 20℃; for 0.0833333h; Knoevenagel condensation; Ionic liquid; | 100% |
With 1,4-diaza-bicyclo[2.2.2]octane In water at 20℃; for 0.0333333h; Knoevenagel Condensation; Green chemistry; | 100% |
With 2C9H3O6(3-)*2C27H18N6*3Ni(2+)*15H2O*5C2H6O In dichloromethane at 60℃; for 2h; Knoevenagel Condensation; Inert atmosphere; | 100% |
2,3-dihydro-4H-[1]benzothiopyran-4-one
4-methyl-benzaldehyde
(Z)-3-(4-methylbenzylidene)thiochroman-4-one
Conditions | Yield |
---|---|
With hydrogenchloride In methanol for 3h; | 100% |
With sulfuric acid In acetic acid at 20℃; for 0.333333h; | 89% |
With hydrogenchloride In ethanol for 0.0833333h; Ambient temperature; | 64.1% |
With piperidine In chloroform for 5h; Reflux; | |
With sodium hydroxide In ethanol; water at 0℃; for 0.5h; |
diethyl (morpholinomethyl)phosphonate
4-methyl-benzaldehyde
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran at 0℃; for 1.25h; | 100% |
1.3-propanedithiol
4-methyl-benzaldehyde
2-(4-methylphenyl)-1,3-dithiane
Conditions | Yield |
---|---|
With lithium tetrafluoroborate at 25℃; for 1h; | 100% |
With amberlyst-15 In acetonitrile for 1h; | 99.97% |
With nickel dichloride In dichloromethane | 99% |
3-methyl-butan-2-one
4-methyl-benzaldehyde
4-methyl-1-p-tolyl-pent-1-en-3-one
Conditions | Yield |
---|---|
barium dihydroxide In ethanol for 1h; Heating; | 100% |
With sodium hydroxide In water Heating; |
N-methylpropargylamine
4-methyl-benzaldehyde
N-methyl-N-(4-methylbenzyl)prop-2-yn-1-amine
Conditions | Yield |
---|---|
Stage #1: 4-methyl-benzaldehyde With acetic acid In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: methyl(propargyl)amine In dichloromethane at 20℃; for 1h; Inert atmosphere; Stage #3: With sodium tris(acetoxy)borohydride In dichloromethane at 0℃; Inert atmosphere; | 100% |
With hydrogenchloride; sodium cyanoborohydride 1.) methanol, 15 min, 2.) MeOH, 24 h; Multistep reaction; |
propylamine
4-methyl-benzaldehyde
N-((4-methylphenyl)methylene)-1-propanamine
Conditions | Yield |
---|---|
at 20℃; for 12h; | 100% |
With 1-hydrosilatrane In neat (no solvent) at 70℃; for 23h; Sealed tube; Green chemistry; | 99% |
In methanol at 25℃; Mechanism; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.); |
carbon tetrabromide
4-methyl-benzaldehyde
1-(2,2-dibromovinyl)-4-methylbenzene
Conditions | Yield |
---|---|
Stage #1: carbon tetrabromide With triphenylphosphine In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: 4-methyl-benzaldehyde In dichloromethane at 0℃; for 2h; Inert atmosphere; | 100% |
Stage #1: carbon tetrabromide With triphenylphosphine In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: 4-methyl-benzaldehyde In dichloromethane at 0℃; for 2h; Inert atmosphere; | 100% |
With triphenylphosphine In dichloromethane at 0℃; for 0.5h; | 98% |
trimethylsilyl cyanide
4-methyl-benzaldehyde
2-(4-methylphenyl)-2-(trimethylsilyloxy)acetonitrile
Conditions | Yield |
---|---|
With Na(1+)*C7H3NO4(2-)*Cu(2+)*C7H4NO4(1-) at 20℃; for 3h; | 100% |
Stage #1: 4-methyl-benzaldehyde With scandium tris(trifluoromethanesulfonate); 1-n-butyl-3-methylimidazolium hexafluoroantimonate at 20℃; for 0.166667h; Stage #2: trimethylsilyl cyanide at 20℃; for 0.0833333h; Inert atmosphere; | 99% |
With C7H3O8S2(3-)*5H2O*Pr(3+) In neat (no solvent) at 40℃; for 0.5h; Inert atmosphere; | 99% |
diethyl cyanophosphonate
4-methyl-benzaldehyde
Phosphoric acid cyano-p-tolyl-methyl ester diethyl ester
Conditions | Yield |
---|---|
With lithium cyanide In tetrahydrofuran Ambient temperature; | 100% |
Conditions | Yield |
---|---|
With potassium hydroxide In methanol at 0℃; | 100% |
diethylzinc
4-methyl-benzaldehyde
(S)-1-(4-methylphenyl)propan-1-ol
Conditions | Yield |
---|---|
(1S)-1-(9-piperidylfluoren-9-yl)ethanol In hexane; toluene at 0℃; for 4h; Addition; | 100% |
Stage #1: diethylzinc In toluene at 0℃; for 0.5h; Stage #2: 4-methyl-benzaldehyde In toluene at 0 - 20℃; for 48h; Reagent/catalyst; enantioselective reaction; | 99% |
Stage #1: diethylzinc; 4-methyl-benzaldehyde With diphenyl-((S)-1-((S)-1-phenylethyl)aziridin-2-yl)-methanol In hexane; toluene at 0 - 25℃; for 48.5h; Inert atmosphere; Stage #2: With ammonium chloride In hexane; water; toluene Saturated solution; optical yield given as %ee; enantioselective reaction; | 98% |
Conditions | Yield |
---|---|
In diethyl ether under 7500600 Torr; for 168h; Product distribution; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
barium dihydroxide In ethanol for 1h; Heating; | 100% |
1. Introduction of p-Tolualdehyde
P-Tolualdehyde is a kind of clear colorless to pale yellow liquid and belongs to the classes of Aromatic Aldehydes & Derivatives (substituted); API Intermediates; Benzaldehyde (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Besides, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant, the fire and heat source. also called . The IUPAC name is 4-methylbenzaldehyde.
2. Properties of p-Tolualdehyde
(1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.23; (5)ACD/BCF (pH 7.4): 23.23; (6)ACD/KOC (pH 5.5): 330.69; (7)ACD/KOC (pH 7.4): 330.69; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 37.83 cm3; (13)Molar Volume: 117.3 cm3; (14)Polarizability: 14.99 ×10-24cm3; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.023 g/cm3; (17)Flash Point: 80 °C; (18)Enthalpy of Vaporization: 44.07 kJ/mol; (19)Boiling Point: 204.5 °C at 760 mmHg; (20)Vapour Pressure: 0.263 mmHg at 25°C.
3. Structure Descriptors of p-Tolualdehyde
(1)SMILES: O=Cc1ccc(C)cc1
(2)InChI: InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
(3)InChIKey: FXLOVSHXALFLKQ-UHFFFAOYAK
4. Toxicity of p-Tolualdehyde
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0533443, |
mouse | LD50 | oral | 3200mg/kg (3200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533443, |
rat | LC | inhalation | > 2200mg/m3 (2200mg/m3) | National Technical Information Service. Vol. OTS0533443, | |
rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533443, |
rat | LD50 | oral | 1600mg/kg (1600mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533443, |
rat | LD50 | skin | 2500mg/kg (2500mg/kg) | National Technical Information Service. Vol. OTS0538243, |
7. Use of p-Tolualdehyde
p-Tolualdehyde can be used as organic synthesis intermediates and essence. And it can react with allyl-trimethyl-silane to get 1-p-tolyl-but-3-en-1-ol. This reaction will need reagent dealuminated zeolite-Y exchanged with rare earth metal and solvent nitromethane. The reaction time is 18 hours at reaction temperature of 80 °C. The yield is about 55.0%.
8. Other details of p-Tolualdehyde
When you are using p-Tolualdehyde, please be cautious about it as the following:
P-Tolualdehyde is harmful if swallowed and irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View