Conditions | Yield |
---|---|
With magnesium(II) perchlorate; 1-(phenyl-2-ethyl)-7-methyl-3,5-N,N-diethylaminocarbonyl-4,7-dihydropyrrolo<2,3-b>pyridine In acetonitrile at 60℃; for 1h; Product distribution; Rate constant; reduction of other benzaldehydes and ketones and carbon carbon double bonds; | 100% |
With magnesium(II) perchlorate; model of NADH grafted on silica matrix In acetonitrile at 65℃; for 120h; Product distribution; also with methyl benzoylformiate; varied lenght of chain, between reagent and surface of the support, reaction time, proportion of reagent/p-NBA; | 100% |
With magnesium(II) perchlorate; polymer-bound NADH (2a) In acetonitrile; benzene at 80℃; for 120h; Further byproducts given; | 100% |
Conditions | Yield |
---|---|
With Zn(BH4)2(Ph3P)2 In tetrahydrofuran at 20℃; Reduction; | 100% |
With N-methylpyrrolidine zinc borohydride In tetrahydrofuran at 20℃; for 0.583333h; | 100% |
With poly-η-(pyridine)zinc borohydride In diethyl ether for 6h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
With 8-(N,N-dimethylaminomethyl)-1-naphthyl-(Ph)SiH2 at 25℃; for 12h; | A 100% B n/a |
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With water | 100% |
2-methylquinoline
4-nitrobenzaldehdye
A
4-nitrobenzyl chloride
B
1,2,3,4-tetrahydro-2-methylquinoline
Conditions | Yield |
---|---|
With (7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen In toluene at 80℃; for 18h; | A 100% B 78% |
Conditions | Yield |
---|---|
With methanol; potassium permanganate; trimethylsulphonium iodide at 25℃; under 760.051 Torr; chemoselective reaction; | 99% |
With acetyl chloride In methanol at 20℃; for 21h; | 96% |
With methanol; oxo[hexa(trifluoroacetato)]tetrazinc for 6h; Reflux; Inert atmosphere; | 95% |
4-nitrobenzyl trimethylsilyl ether
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With bismuth(lll) trifluoromethanesulfonate In methanol at 20℃; for 0.0666667h; | 99% |
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.116667h; Green chemistry; | 99% |
With Oxone In methanol for 0.25h; Heating; | 97% |
2-(4-nitrobenzyloxy)tetrahydro-2H-pyran
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With silica-supported NaHSO4 In methanol at 20℃; for 0.166667h; | 99% |
With bismuth(lll) trifluoromethanesulfonate In methanol for 0.0833333h; Heating; | 96% |
With silica triflate In methanol for 0.133333h; Heating; | 95% |
4-nitrobenzaldehdye
aniline
A
4-nitrobenzyl chloride
B
4-nitrobenzanilide
Conditions | Yield |
---|---|
Stage #1: aniline With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere; Stage #2: 4-nitrobenzaldehdye With yttrium(III) chloride In toluene at 20℃; for 48h; Cannizzaro reaction; Inert atmosphere; Stage #3: With hydrogenchloride In water; toluene at 20℃; Inert atmosphere; | A n/a B 99% |
Conditions | Yield |
---|---|
With potassium borohydride; hafnium tetrachloride In tetrahydrofuran at 40℃; for 17.1h; Inert atmosphere; Cooling with ice; | 98% |
With zirconium(IV) borohydride In tetrahydrofuran at 25℃; for 1h; Reduction; | 97% |
With [Zn(BH4)2(py)] In tetrahydrofuran for 2.3h; Heating; | 97% |
Conditions | Yield |
---|---|
With sulfur trioxide; water; nitric acid; sodium hydroxide In dichloromethane at 0 - 40℃; Large scale; | 98% |
Conditions | Yield |
---|---|
Stage #1: 1-methyl-4-nitrobenzene With 2,2'-azobis(isobutyronitrile); chlorine at 120 - 130℃; Stage #2: With sodium acetate In toluene at 75 - 80℃; for 4h; Stage #3: With potassium hydroxide In methanol at 15 - 25℃; for 3h; Temperature; Reagent/catalyst; | 97.2% |
With sulfuric acid; fluorosulphonic acid; lead dioxide 1.) -20 deg C, 6 h, 2.) -50 deg C to -40 deg C; | 30% |
With sulfuric acid; water; acetic acid Electrolysis; | |
With sulfuric acid; lead dioxide | |
durch elektrolytische Oxydation; |
Conditions | Yield |
---|---|
With sulfur trioxide; water; nitric acid; sodium hydroxide In dichloromethane at 10 - 75℃; Large scale; | 97.05% |
Conditions | Yield |
---|---|
Stage #1: ethyl 4-nitrobenzoate With diethylzinc; lithium chloride In tetrahydrofuran; hexane at 20℃; for 6h; Inert atmosphere; Stage #2: With sodium hydroxide In tetrahydrofuran; hexane; water at 20℃; for 8h; Inert atmosphere; chemoselective reaction; | 97% |
With potassium borohydride; hafnium tetrachloride In tetrahydrofuran at 40℃; for 13.1h; Inert atmosphere; Cooling with ice; | 95% |
With lithium borohydride In methanol; diethyl ether for 0.5h; Heating; | 90% |
1-((methoxymethoxy)methyl)-4-nitrobenzene
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
phosphotungstic acid In ethanol for 1.5h; Heating; | 97% |
With carbon tetrabromide In isopropyl alcohol for 2.5h; Heating; | 87% |
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.0916667h; Microwave irradiation; chemoselective reaction; | 83% |
With antibody 43D4-3D12; sodium acetate; sodium chloride In acetonitrile at 37℃; for 24h; enzyme kinetics; |
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol at 20℃; | 97% |
Conditions | Yield |
---|---|
With zinc(II) tetrahydroborate In 1,2-dimethoxyethane for 4h; Ambient temperature; | 96% |
Conditions | Yield |
---|---|
With 1-dodecyl-3-methylimidazol-1-ium bromide; water; zinc dibromide at 90℃; for 3h; Reagent/catalyst; | 96% |
With water; sodium formate; sodium carbonate at 100 - 105℃; for 1h; pH=7 - 7.5; Reagent/catalyst; | 94.7% |
With oxygen; eosin y In dimethyl sulfoxide at 25℃; for 12h; Irradiation; | 91% |
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With sodium hydroxide In water Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
With water; 1-butyl-3-methylimidazolium chloride; zinc(II) chloride at 100℃; for 7h; Reagent/catalyst; | 95% |
With water; sodium formate; potassium carbonate at 100 - 105℃; for 1h; pH=7 - 7.5; Reagent/catalyst; | 93.6% |
With iron(III) sulfate; water In toluene at 110℃; for 3h; Ionic liquid; | 92% |
Conditions | Yield |
---|---|
With zirconium(IV) borohydride In tetrahydrofuran at 25℃; for 2h; Reduction; | 95% |
With sodium tetrahydroborate; sodium methylate In methanol at 25℃; for 3h; Inert atmosphere; | 95% |
With methanol; sodium tetrahydroborate; sodium methylate at 60℃; for 0.333333h; Reagent/catalyst; Temperature; | 95% |
tert-butyldimethyl-4-nitrobenzyloxysilane
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With hafnium tetrakis(trifluoromethanesulfonate) In methanol at 20℃; for 12h; | 95% |
With hafnium tetrakis(trifluoromethanesulfonate) In methanol at 20℃; for 12h; | 95% |
With sodium periodate In ethanol at 20℃; for 2h; Product distribution; Further Variations:; Solvents; | 94% |
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 12h; | 95% |
With methanol; oxo[hexa(trifluoroacetato)]tetrazinc for 18h; Reflux; Inert atmosphere; | > 99 %Chromat. |
With water; potassium carbonate In methanol Reagent/catalyst; chemoselective reaction; |
Conditions | Yield |
---|---|
With sodium carbonate; bis(dibenzylideneacetone)-palladium(0); ruphos In 1,4-dioxane; water for 24h; Suzuki-Miyaura cross-coupling; Inert atmosphere; Reflux; | 94.4% |
Conditions | Yield |
---|---|
Stage #1: 4-nitrobenzaldehdye With potassium hydroxide In water at 20℃; Cannizzaro reaction; Stage #2: With hydrogenchloride In water | A 91% B 93% |
With sodium hydroxide In water at 30℃; for 5h; Cannizzaro Reaction; | A n/a B 90% |
With TEA; magnesium bromide In dichloromethane at 20℃; for 24h; Cannizzaro reaction; | A 85% B n/a |
Conditions | Yield |
---|---|
Stage #1: 4-nitrobenzaldehdye With μ-Cl In dichloromethane at 20℃; for 48h; Stage #2: With hydrogenchloride | A 88% B 93% |
4-nitro-1-[(ethoxymethoxy)methyl]benzene
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
phosphotungstic acid In ethanol for 2h; Heating; | 93% |
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.0833333h; Microwave irradiation; chemoselective reaction; | 89% |
2-((4-nitrobenzyl)oxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With silica gel In methanol at 60℃; for 3h; Inert atmosphere; | 93% |
With silica gel at 25℃; Inert atmosphere; Glovebox; | 92% |
With silica gel In hexane; ethyl acetate | 90% |
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With triethylamine In methanol Heating; | 92% |
Conditions | Yield |
---|---|
With copper(I) chloride; potassium borohydride In methanol for 0.416667h; Ambient temperature; | 100% |
With hydrazine hydrate In ethanol at 78℃; for 24h; | 100% |
With hydrogen In methanol at 20℃; under 760.051 Torr; for 5h; | 100% |
Conditions | Yield |
---|---|
With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 1.5h; Ambient temperature; | 100% |
With pyridine chromium peroxide In benzene for 0.2h; Heating; | 100% |
With tert.-butylhydroperoxide; polystyrene-bound phenylselenic acid In tetrachloromethane for 5h; Heating; | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-nitrobenzyl chloride With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: With tetrabutylammomium bromide at 20℃; Sealed tube; Inert atmosphere; | 100% |
With N-Bromosuccinimide; triphenylphosphine for 0.00555556h; microwave irradiation; | 98% |
Stage #1: 4-nitrobenzyl chloride With diisopropyl-carbodiimide; copper(II) bis(trifluoromethanesulfonate) In tetrahydrofuran at 100℃; for 0.0833333h; microwave irradiation; Stage #2: With Acetyl bromide In tetrahydrofuran at 150℃; for 0.0833333h; microwave irradiation; Further stages.; | 98% |
Conditions | Yield |
---|---|
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite In acetonitrile at 35℃; pH 6.7; | 100% |
With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In aq. phosphate buffer; water; acetonitrile at 35℃; pH=6.7; Green chemistry; | 100% |
With gold oxide; oxygen; copper(II) oxide; sodium hydroxide; silver(l) oxide In water at 40℃; under 750.075 Torr; for 16h; | 100% |
4-nitrobenzyl chloride
(4-Nitro-phenyl)-methanol anion
Conditions | Yield |
---|---|
With potassium hydride; cryptand 222B In tetrahydrofuran for 0.0166667h; other reagents, other times, other solvent, other yields; | 100% |
With potassium hydride; cryptand 222B In tetrahydrofuran for 0.0166667h; | 100% |
4-nitrobenzyl chloride
tri(p-nitrobenzyl)phosphite
Conditions | Yield |
---|---|
With Hexamethylphosphorous triamide at 100℃; for 2h; | 100% |
With Hexamethylphosphorous triamide at 100℃; |
3,4-dihydro-2H-pyran
4-nitrobenzyl chloride
2-(4-nitrobenzyloxy)tetrahydro-2H-pyran
Conditions | Yield |
---|---|
With titanium(IV) salophen trifluoromethanesulfonate In dichloromethane at 20℃; for 0.0333333h; chemoselective reaction; | 100% |
With pyridinium p-toluenesulfonate In dichloromethane for 1.5h; | 99% |
With P-benzyltriphenylphosphonium tribromide In dichloromethane at 20℃; for 0.0833333h; | 97% |
4-nitrobenzyl chloride
2,3,4,6-tetra-O-pivaloyl-α-D-mannopyranosyl fluoride
4-nitrobenzyl tetra-O-pivaloyl-α-D-mannopyranoside
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In dichloromethane at 4℃; Substitution; | 100% |
4-nitrobenzyl chloride
tert-butyldimethylsilyl chloride
tert-butyldimethyl-4-nitrobenzyloxysilane
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 2.5h; silylation; | 100% |
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 1.5h; silylation; | 100% |
With triethylamine In tetrahydrofuran at 20℃; for 95h; Time; | 99% |
4-nitrobenzyl chloride
N-benzyloxycarbonylalanine
N-Benzyloxycarbonyl-D,L-alanine 4-nitrobenzyl ester
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 20h; | 100% |
Conditions | Yield |
---|---|
With triethylsilane; palladium dichloride In ethanol at 20℃; for 0.5h; Inert atmosphere; | 100% |
With hydrogen In ethanol at 80℃; under 2250.23 Torr; for 5h; Catalytic behavior; Inert atmosphere; | 95% |
With [IrCl(CO)(PPh3)2]; hydrazine hydrate; potassium hydroxide In methanol at 160℃; for 3h; Wolff-Kishner Reduction; Sealed tube; | 51% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 3h; | 100% |
With hydroxyapatite supported copper(I) oxide In acetonitrile at 50℃; for 0.0833333h; Reagent/catalyst; | 93% |
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-nitrobenzyl chloride With di-isopropyl azodicarboxylate; N-hydroxyphthalimide resin; triphenylphosphine; 1H-imidazole In dichloromethane at 20℃; for 24h; Mitsunobu reaction; Stage #2: With methylamine In methanol; chloroform at 20℃; for 2h; | 100% |
Multi-step reaction with 2 steps 1: PPh3; DEAD / tetrahydrofuran / 0 - 50 °C 2: 80 percent / N2H4*H2O / ethanol / 78 °C View Scheme | |
Multi-step reaction with 2 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 3 h / 0 - 20 °C / Inert atmosphere 2: hydrazine hydrate / tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere View Scheme |
Conditions | Yield |
---|---|
Stage #1: ammonium thiocyanate With 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate) In acetonitrile at 20℃; for 0.333333h; Stage #2: 4-nitrobenzyl chloride In acetonitrile for 1h; | 100% |
4-nitrobenzyl chloride
Conditions | Yield |
---|---|
With C29H28F6N4OS at 20℃; for 1.5h; enantioselective reaction; | 100% |
Conditions | Yield |
---|---|
With t-butyl nicotinate; zinc diacetate at 40℃; for 24h; chemoselective reaction; | 100% |
Conditions | Yield |
---|---|
In dichloromethane-d2 at 20℃; | 100% |
Conditions | Yield |
---|---|
Stage #1: formic acid With dicyclohexyl-carbodiimide In dichloromethane at 0℃; Inert atmosphere; Stage #2: 4-nitrobenzyl chloride With dmap In dichloromethane for 0.5h; | 99.4% |
Stage #1: formic acid With silica gel at 20℃; for 0.0166667h; Stage #2: 4-nitrobenzyl chloride With silica gel at 110℃; for 0.05h; | 95% |
With iodine at 20℃; for 1h; neat (no solvent); | 88% |
Conditions | Yield |
---|---|
K5 In acetonitrile at 20℃; for 0.25h; | 99% |
With thalium(III) chloride tetrahydrate at 20℃; for 0.116667h; | 99% |
With polyvinylpolypyrrolidone-bound boron trifluoride In acetonitrile at 20℃; for 2h; | 99% |
Conditions | Yield |
---|---|
With bismuth(III) chloride for 1.25h; Heating; | 99% |
With K5 for 0.75h; Heating; | 98% |
With potassium fluoride at 80℃; for 3h; | 97% |
4-nitrobenzyl chloride
trichloroacetonitrile
4-nitrobenzyl 2,2,2-trichloroethanimidoate
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 7h; Inert atmosphere; | 99% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; Inert atmosphere; | 97% |
Stage #1: 4-nitrobenzyl chloride With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 0.25h; Inert atmosphere; Stage #2: trichloroacetonitrile In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere; | 96% |
With sodium hydride In tetrahydrofuran | 95% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 3.5h; | 92% |
4-Nitrobenzyl alcohol, with CAS number of 619-73-8, can be called (4-Nitrophenyl)methanol; 4-Nitrobenzenemethanol; 4-Nitrobenzyl alcohol; p-(Hydroxymethyl)nitrobenzene; p-Nitrobenzyl alcohol. It belongs to the Product Categories of Fine chemical & intermediates; Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds.The Molecular Formula of it is C7H7NO3 and the Molecular Weight is 153.13538.
Physical properties about 4-Nitrobenzyl alcohol are: (1)ACD/LogP: 0.831; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 2.52; (5)ACD/BCF (pH 7.4): 2.52; (6)ACD/KOC (pH 5.5): 67.49; (7)ACD/KOC (pH 7.4): 67.49; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 39.25 cm3; (13)Molar Volume: 115.092 cm3; (14)Polarizability: 15.56 10-24cm3; (15)Surface Tension: 57.0449981689453 dyne/cm; (16)Density: 1.331 g/cm3; (17)Flash Point: 148.078 °C; (18)Enthalpy of Vaporization: 59.389 kJ/mol; (19)Boiling Point: 320.847 °C at 760 mmHg; (20)
When you are using this chemical, please be cautious about it as the following:
1. Do not breathe dust;
2. Avoid contact with skin and eyes;
3. Wear suitable protective clothing, gloves and eye/face protection;
4. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
5. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
6. Keep away from sources of ignition - No smoking;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2;
(2)InChIKey=JKTYGPATCNUWKN-UHFFFAOYSA-N;
(3)Smiles[O-][N+](=O)c1ccc(cc1)CO;
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