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CAS No.: | 619-50-1 |
---|---|
Name: | Methyl 4-nitrobenzoate |
Article Data: | 445 |
Molecular Structure: | |
Formula: | C8H7NO4 |
Molecular Weight: | 181.148 |
Synonyms: | Benzoicacid, p-nitro-, methyl ester (6CI,8CI);4-Methoxycarbonylnitrobenzene;4-nitrobenzoic acid methyl ester;Methyl 4-nitrobenzoate;Methylp-nitrobenzoate;NSC 4137;p-Carbomethoxynitrobenzene;p-Nitrobenzoic acidmethyl ester; |
EINECS: | 210-599-2 |
Density: | 1.301 g/cm3 |
Melting Point: | 94-96 °C(lit.) |
Boiling Point: | 302.6 °C at 760 mmHg |
Flash Point: | 149.2 °C |
Appearance: | light yellow to yellow fine crystalline powder |
Safety: | 22-24/25 |
PSA: | 72.12000 |
LogP: | 1.90460 |
Conditions | Yield |
---|---|
With dmap; 2-chloro-1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)pyridinium trifluoromethanesulfonate; triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; | 100% |
Stage #1: 4-nitro-benzoic acid With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 20℃; for 0.0833333h; Garegg-Samuelsson type reaction; Stage #2: methanol In dichloromethane at 20℃; Garegg-Samuelsson type reaction; | 100% |
With dmap; 2-chloro-1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)pyridinium trifluoromethanesulfonate; triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; | 100% |
p-nitrobenzene iodide
carbon monoxide
triethylmethoxystannane
4-nitrobenzoic acid methyl ester
Conditions | Yield |
---|---|
With iodophenylbis(triphenylphosphine)palladium under 760 Torr; for 1h; | 100% |
diazomethyl-trimethyl-silane
4-nitro-benzoic acid
4-nitrobenzoic acid methyl ester
Conditions | Yield |
---|---|
In methanol; toluene at 20℃; for 2h; | 100% |
In ethyl acetate | 60% |
In methanol; diethyl ether; hexane at 20℃; for 2h; Inert atmosphere; | 178 mg |
1-(dimethoxymethyl)pyrrolidine
4-nitro-benzoic acid
4-nitrobenzoic acid methyl ester
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 30℃; for 25h; | 100% |
methanol
A
4-nitrobenzoic acid methyl ester
B
diethyl [N-(hydroxy)imino](p-fluorophenyl)methylphosphonate
Conditions | Yield |
---|---|
for 6h; Inert atmosphere; Reflux; | A 100% B 100% |
Conditions | Yield |
---|---|
With water; iodine; sodium nitrite at 20 - 70℃; chemoselective reaction; | 99% |
With ammonium peroxydisulfate at 60℃; for 2.5h; | 99% |
With potassium hydroxide; iodine at 0℃; for 0.0166667h; | 98% |
Conditions | Yield |
---|---|
With sodium carbonate; palladium; silver(l) oxide at 80℃; for 48h; Molecular sieve; | 99% |
With dihydrogen peroxide for 3h; Irradiation; | 95% |
With oxygen; potassium carbonate at 60℃; under 750.075 Torr; for 20h; | 94% |
Conditions | Yield |
---|---|
scandium tris(trifluoromethanesulfonate) at 64℃; for 168h; | 98% |
With dipotassium hydrogenphosphate for 5h; Reflux; | 98% |
With potassium ethoxide | |
acrylonitrile; triphenylphosphine at 25℃; for 24h; | 71 % Chromat. |
Conditions | Yield |
---|---|
In benzene for 3h; Heating; | 98% |
In benzene Product distribution; Mechanism; Heating; other nucleophiles; var. reaction conditions; | 98% |
In benzene for 3h; Mechanism; Heating; | 98% |
Conditions | Yield |
---|---|
magnesium(II) perchlorate In nitromethane at 40℃; for 16h; | 98% |
With 2,6-dimethylpyridine; fac-tris(2-phenylpyridinato-N,C2')iridium(III) In N,N-dimethyl-formamide at 20℃; for 48h; Sealed tube; Inert atmosphere; Irradiation; |
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1. | ipr-mus LD50:200 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. AD691-490 . |