p-Nitrobenzoic acid supplier

Name
p-Nitrobenzoic acid
EINECS 200-526-2
CAS No. 62-23-7
Article Data1073
CAS DataBase
Density 1.468 g/cm³
Solubility <0.1 g/100 mL at 26 °C in water
Melting Point 237-240 °C(lit.)
Formula C₇H₅NO₄
Boiling Point 359.1 °C at 760 mmHg
Molecular Weight 167.121
Flash Point 166.5 °C
Transport Information
Appearance light yellow crystalline powder
Safety 26-39-24/25
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoicacid, p-nitro- (8CI);4-Nitrobenzoic acid;Nitrodracylic acid;p-Carboxynitrobenzene;p-Nitrobenzenecarboxylic acid;
PSA 83.12000
LogP 1.81620

Synthetic route

: 619-73-8
4-nitrobenzyl chloride

: 62-23-7
4-nitro-benzoic acid

Conditions

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%

: 555-16-8
4-nitrobenzaldehdye

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With sodium perborate In acetic acid for 1.5h; steam bath;	100%
With phosphate-buffered silica gel supported KMnO4 In cyclohexane at 65℃;	100%
With [Cu2C6H4(CHNCH2CH2N(CH2C5H4N)2)2](2+)*2ClO4(1-)=C36H38Cu2N8(ClO4)2; oxygen In acetone at -90.16℃;	100%

: 636-98-6
p-nitrobenzene iodide

: 201230-82-2
carbon monoxide

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride In water; N,N-dimethyl-formamide at 50℃; under 760 Torr; for 3h;	100%
With amphiphilic resin-supported phosphine-palladium; water; potassium carbonate at 25℃; under 760 Torr; for 12h; hydroxycarbonylation;	100%
With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride In water; N,N-dimethyl-formamide at 50℃; for 3h; Product distribution; effect of different catalysts;	100%

: 99-99-0
1-methyl-4-nitrobenzene

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With Oxone; potassium bromide In dichloromethane; water at 20℃; for 24h; visible light irradiation;	99%
With sodium hypochlorite; bis(2,2'-bipyridine)dichloronickel(II) In acetonitrile for 1h; Ambient temperature;	98%
With oxygen; nitric acid at 230℃; under 4500.45 - 15001.5 Torr; for 14h; Autoclave; Green chemistry;	97.1%

: 619-50-1
4-nitrobenzoic acid methyl ester

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With AlBrCl3(1-)C5H5NH(1+) at 140℃; for 3h;	99%
With methanesulfonic acid; 1-methylimidazolium hydrobromide at 120℃; for 2h;	96%
With iron(III) sulfate; water In toluene at 110℃; for 4h; Ionic liquid;	95%

: 19756-72-0
tert-butyl 4-nitrobenzoate

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With AlBrCl3(1-)C5H5NH(1+) at 140℃; for 3h;	99%
With ytterbium(III) triflate In nitromethane at 45 - 50℃; for 8h;	98%
With sodium hydroxide In methanol; dichloromethane at 20℃; for 5.5h; Solvent;	93%

: 3460-11-5
4-nitrobenzanilide

A: 62-53-3
aniline

B: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With 40% potassium fluoride/alumina for 0.0666667h; Microwave irradiation; Neat (no solvent);	A 90% B 99%

: 131061-15-9, 86622-84-6
3-(4-nitrophenyl)acrylic acid n-butyl ester

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With sodium periodate; 2C16H13N2O10Ru2(1-)*Ca(2+) In water at 45℃; for 16h; Green chemistry;	99%

: 4023-82-9
4-nitrobenzoylacetone

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With oxygen; sodium hydrogencarbonate In acetonitrile for 4h; Molecular sieve; Irradiation;	99%

: 99-77-4
ethyl 4-nitrobenzoate

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With AlBrCl3(1-)C5H5NH(1+) at 140℃; for 3h;	98%
Stage #1: ethyl 4-nitrobenzoate With iron(III) chloride In tetrachloromethane at 85℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride; water In tetrachloromethane Inert atmosphere;	96%
With potassium hydroxide In methanol at 35℃; for 0.166667h;	83%

: 41780-82-9
4-methyl-N'-(1-(4-nitrophenyl)ethylidene)benzenesulfonohydrazide

A: 100-19-6
(4-nitrophenyl)ethanone

B: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With silica-supported selenamide; dihydrogen peroxide In tert-butyl alcohol at 55℃; for 20h;	A 98% B 2%

: 99-99-0
1-methyl-4-nitrobenzene

A N-acetoxy-1,8-naphthalenedicarboximide: N-acetoxy-1,8-naphthalenedicarboximide

B: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With acetic acid In titanium	A n/a B 98%

: 4-((tert-butyldimethylsilyl)oxy)benzyl 4-nitrobenzoate

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 0.5h;	98%

: 58561-10-7
2-p-nitrobenzoyl-2-acetamido-1,3-propanediol

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With nitric acid In water at 100℃; for 6h;	97.8%

polymer, Merrifield resin, 3-hydroxybenzaldehyde bound, adduct with 2-phenyl-1,3-dithiane, 4-nitrobenzoyl ester, dithiane-deprotected: polymer, Merrifield resin, 3-hydroxybenzaldehyde bound, adduct with 2-phenyl-1,3-dithiane, 4-nitrobenzoyl ester, dithiane-deprotected

A polymer, Merrifield resin, 3-hydroxybenzaldehyde bound, adduct with 2-phenyl-1,3-dithiane, benzoyl ester, dithiane-deprotected, photolysis product: polymer, Merrifield resin, 3-hydroxybenzaldehyde bound, adduct with 2-phenyl-1,3-dithiane, benzoyl ester, dithiane-deprotected, photolysis product

B: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
In tetrahydrofuran; methanol for 1h; Cyclization; Irradiation;	A 97% B n/a

: 937-31-5
(4-Nitrophenyl)acetylene

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
Stage #1: (4-Nitrophenyl)acetylene With tert.-butylhydroperoxide; iron(III) chloride hexahydrate; sodium hydroxide In water at 80℃; for 10h; Stage #2: With hydrogenchloride In water at 20℃;	97%
With carbon tetrabromide; water; oxygen In ethyl acetate for 40h; Irradiation;	97%
Multi-step reaction with 3 steps 1.1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / tetrahydrofuran / 25 °C / Inert atmosphere 2.1: potassium carbonate / methanol; dichloromethane / 1 h / 25 °C 2.2: 4 h / 145 °C / Inert atmosphere 3.1: dihydrogen peroxide / 25 °C / pH 7.4 / aq. phosphate buffer View Scheme

: 18414-58-9
diphenylmethylsilanecarboxylic acid

: 586-78-7
para-nitrophenyl bromide

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With lithium trimethylsilanolate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 80℃; for 16h; Inert atmosphere; Glovebox;	97%

: 14786-27-7
benzyl 4-nitrobenzoate

: 108-88-3
toluene

A: 620-47-3
1-methyl-3-(phenylmethyl)-benzene

B: 620-83-7
1-methyl-4-(phenylmethyl)benzene

C: 713-36-0
2-benzyltoluene

D: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction;	A n/a B n/a C n/a D 97%

...Expand

: 636-98-6
p-nitrobenzene iodide

: 18414-58-9
diphenylmethylsilanecarboxylic acid

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With potassium trimethylsilonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0) In toluene at 40℃; for 0.333333h;	96%

: 1609430-93-4
(1S,2S)-1,2-bis(4-nitrophenyl)ethane-1,2-diol

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
Stage #1: (1S,2S)-1,2-bis(4-nitrophenyl)ethane-1,2-diol With oxygen; sodium t-butanolate In tetrahydrofuran at 20℃; under 760.051 Torr; for 2h; Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=1; chemoselective reaction;	96%

: 57356-40-8
2-(hydroxymethyl)-5-nitrophenol

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With 3-methyl-butan-2-one; samarium(III) oxide at 55 - 69℃; for 2.16667h; Temperature;	96%

: 124-38-9
carbon dioxide

: 586-78-7
para-nitrophenyl bromide

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
Stage #1: carbon dioxide With o-phenylenebis(diphenylphosphine); copper(II) acetate monohydrate In 1,4-dioxane at 65℃; for 0.333333h; Schlenk technique; Stage #2: para-nitrophenyl bromide With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; for 7h; Schlenk technique; Sealed tube;	96%
Stage #1: carbon dioxide With o-phenylenebis(diphenylphosphine); copper(II) acetate monohydrate In 1,4-dioxane at 60℃; for 0.416667h; Schlenk technique; Stage #2: para-nitrophenyl bromide With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; for 10h; Schlenk technique;	96%
Stage #1: para-nitrophenyl bromide With iodine; magnesium; methyl iodide In tetrahydrofuran at 50℃; for 3h; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran for 2h; Inert atmosphere;	13.5 g
With triethylamine In acetonitrile at 20℃; under 760.051 Torr; for 24h; Irradiation;

: 124-38-9
carbon dioxide

: 100-00-5
4-chlorobenzonitrile

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With C26H30B10Cl2P2Pd In toluene at 60℃; under 760.051 Torr; for 10h;	96%
Stage #1: carbon dioxide With o-phenylenebis(diphenylphosphine); copper(II) acetate monohydrate In 1,4-dioxane at 65℃; for 0.333333h; Schlenk technique; Stage #2: 4-chlorobenzonitrile With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; for 14h; Schlenk technique; Sealed tube;	60%
With triethylamine In acetonitrile at 20℃; under 760.051 Torr; for 24h; Irradiation;

: 14856-73-6
4-nitrobenzyl trimethylsilyl ether

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With aluminium trichloride; silver bromate In acetonitrile for 0.35h; Product distribution; Heating; other primary trimethylsilyl ethers, var. time;	95%

: 74087-85-7
3,3-dimethyldioxirane

: 150-13-0
4-amino-benzoic acid

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
In acetone at 22℃; for 0.5h;	95%

: 99-81-0
4-Nitrophenacyl bromide

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With sodium periodate; dibenzo-18-crown-6; N-benzyl-N,N,N-triethylammonium chloride In ethanol for 1.5h; Heating;	95%
With sodium percarbonate In water; acetone for 2h; Irradiation;	85%
With sodium hydroxide; potassium chloride; potassium hexacyanoferrate(III) In water; acetonitrile at 10℃; Rate constant;
With sodium percarbonate In water; acetone for 1h; Irradiation; other α-haloketones, var. time; also thermal cleavage;

: 1129-37-9
4-nitrobenzaldehyde oxime

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With silica-supported selenamide; dihydrogen peroxide In tetrahydrofuran at 55℃; for 37h;	95%
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 38h; Heating;	94%
With [hydroxy(tosyloxy)iodo]benzene; water In dimethyl sulfoxide at 20℃; for 24h;	82%

: 736-31-2
trans-4,4'-dinitrostilbene

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With Oxone; osmium(VIII) oxide In N,N-dimethyl-formamide; tert-butyl alcohol at 20℃; for 3h;	95%
Multi-step reaction with 2 steps 1.1: potassium carbonate; potassium hexacyanoferrate(III) / tert-butyl alcohol; water / 20 °C / Inert atmosphere 2.1: sodium t-butanolate; oxygen / tetrahydrofuran / 2 h / 20 °C / 760.05 Torr 2.2: pH 1 View Scheme

: 15727-80-7
allyl 4-nitrobenzoate

: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With iodine; dimethyl sulfoxide for 0.333333h; Heating;	95%
With toluene-4-sulfonic acid for 0.0666667h; microwave irradiation;	70%

: 62-53-3
aniline

: 62-23-7
4-nitro-benzoic acid

: 3460-11-5
4-nitrobenzanilide

Conditions

Conditions	Yield
With diphosphorus tetraiodide In tetrachloromethane; dichloromethane Heating;	100%
Stage #1: 4-nitro-benzoic acid With pyridine; iodine; phosphorous acid trimethyl ester In tetrahydrofuran at -10℃; for 0.166667h; Green chemistry; Stage #2: aniline In tetrahydrofuran at -10 - 20℃; for 2.16667h; Reagent/catalyst; Solvent; Green chemistry;	99%
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;	97%

: 100-51-6
benzyl alcohol

: 62-23-7
4-nitro-benzoic acid

: 14786-27-7
benzyl 4-nitrobenzoate

Conditions

Conditions	Yield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 10h;	100%
With [bis(acetoxy)iodo]benzene; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 16h; Mitsunobu reaction;	100%
Stage #1: 4-nitro-benzoic acid With N-chlorobenzotriazole; triphenylphosphine In dichloromethane for 0.25h; Cooling; Stage #2: benzyl alcohol With triethylamine In dichloromethane at 20℃; for 0.333333h;	98%

: 67-56-1
methanol

: 62-23-7
4-nitro-benzoic acid

: 619-50-1
4-nitrobenzoic acid methyl ester

Conditions

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%

: 62-23-7
4-nitro-benzoic acid

: 150-13-0
4-amino-benzoic acid

Conditions

Conditions	Yield
With sodium tetrahydroborate In water at 50℃; for 0.0833333h; Green chemistry;	100%
With hydrogen In ethanol; water at 25℃; under 11251.1 Torr; for 6h; chemoselective reaction;	99%
With hydrazine hydrate In water at 110℃; Sealed tube; Green chemistry;	99%

: 62-23-7
4-nitro-benzoic acid

: 122-04-3
4-nitro-benzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride In ethyl acetate for 2h; Heating;	100%
With thionyl chloride for 1h; Reflux;	100%
With thionyl chloride; N,N-dimethyl-formamide for 5h; Reflux;	100%

: 62-23-7
4-nitro-benzoic acid

: 586-91-4
azobenzene-4,4'-dicarboxylic acid

Conditions

Conditions	Yield
With D-glucose; acetic acid; sodium hydroxide In water at 50℃;	100%
With D-glucose; sodium hydroxide In water at 50℃; for 12h;	91%
With D-glucose; sodium hydroxide In water at 70℃; for 12h; pH=5 - 6;	81%

: 75-65-0
tert-butyl alcohol

: 62-23-7
4-nitro-benzoic acid

: 19756-72-0
tert-butyl 4-nitrobenzoate

Conditions

Conditions	Yield
With pyridine; p-toluenesulfonyl chloride at 0 - 20℃; for 18h; Esterification;	100%
With pyridine; p-toluenesulfonyl chloride at 20℃; for 72h;	99%
With pyridine; 2,4,6-trinitrochlorobenzene for 3h;	88%

: 111-70-6
n-heptan1ol

: 62-23-7
4-nitro-benzoic acid

: 14309-44-5
heptyl 4-nitrobenzoate

Conditions

Conditions	Yield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;	100%
With diphenylphosphinopolystyrene; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 4h;	84%

: (2S,3S,4R,5R,6S)-5-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-4,6-dimethoxy-tetrahydro-pyran-2-carboxylic acid

: 1795-48-8
Isopropyl isocyanate

: 62-23-7
4-nitro-benzoic acid

Trityl-linked Tentagel-OCOCH(NHFmoc)CH2CHMe2: Trityl-linked Tentagel-OCOCH(NHFmoc)CH2CHMe2

: 2-{[(2S,3S,4R,5R,6S)-3-Isopropylcarbamoyloxy-4,6-dimethoxy-5-(4-nitro-benzoylamino)-tetrahydro-pyran-2-carbonyl]-amino}-4-methyl-pentanoic acid

Conditions

Conditions	Yield
Multistep reaction;	100%

...Expand

: benzyl (3R*,6S*,7S*)-3-hydroxy-7-(3-oxononyl)-1-azaspiro[5.5]undecane-1-carboxylate

: 62-23-7
4-nitro-benzoic acid

: (3R,6R,7R)-3-(4-Nitro-benzoyloxy)-7-(3-oxo-nonyl)-1-aza-spiro[5.5]undecane-1-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 40℃; Mitsunobu reaction;	100%

: 245054-32-4
methyl (3R,4S,5R)-3-hydroxy-4,5-<(2S,3S)-2,3-dimethoxybutan-2,3-dioxy>-cyclohex-1-en-1-carboxylate

: 62-23-7
4-nitro-benzoic acid

: 321887-10-9
(2S,3S,4aR,8S,8aS)-2,3-Dimethoxy-2,3-dimethyl-8-(4-nitro-benzoyloxy)-2,3,4a,5,8,8a-hexahydro-benzo[1,4]dioxine-6-carboxylic acid methyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran Acylation;	100%
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; for 5h; Mitsunobu reaction;

: 155155-67-2
(1S,4R,5R,6R)-4,5,6-Tris-benzyloxy-cyclohex-2-enol

: 62-23-7
4-nitro-benzoic acid

: 340013-64-1
4-Nitro-benzoic acid (1R,4R,5R,6R)-4,5,6-tris-benzyloxy-cyclohex-2-enyl ester

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine Mitsunobu reaction;	100%

: 108-31-6
maleic anhydride

: 62-23-7
4-nitro-benzoic acid

: 17057-04-4
N-(4-carboxyphenyl)maleimide

Conditions

Conditions	Yield
Multistep reaction.;	100%

: 5-benzyloxymethyl-2-[2-(4-methoxy-benzyloxy)-ethyl]-cyclohex-2-enol

: 62-23-7
4-nitro-benzoic acid

: 4-nitro-benzoic acid 5-benzyloxymethyl-2-[2-(4-methoxy-benzyloxy)-ethyl]-cyclohex-2-enyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate Mitsunobu reaction;	100%

: 95-14-7
1,2,3-Benzotriazole

: 62-23-7
4-nitro-benzoic acid

: 4231-71-4
1H-1,2,3-benzotriazol-1-yl-4-nitrophenylmethanone

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 20℃; for 8.5h;	100%
With thionyl chloride In dichloromethane at 20℃;	91%
With thionyl chloride In dichloromethane at 20℃; for 2h;	91.4%

: 62-23-7
4-nitro-benzoic acid

: 572922-89-5
(2S,4R)-4-hydroxy-2-[(1R,2S)-1-methoxycarbonyl-2-vinylcyclopropylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester

: 872496-94-1
(2S,4R)-2-((1R,2S)-1-Methoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-(4-nitro-benzoyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 4.75h; Mitsunobu reaction;	100%
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 4h; Mitsunobu reaction;	108.1 g

: 62-23-7
4-nitro-benzoic acid

: 572922-89-5
(2S,4R)-4-hydroxy-2-[(1R,2S)-1-methoxycarbonyl-2-vinylcyclopropylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester

: 572922-90-8
(2S,4S)-2-((1R,2S)-1-Methoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-(4-nitro-benzoyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 4.75h;	100%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 2h; Mitsunobu reaction;
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 17.5h; Mitsunobu reaction;

: 3360-41-6
4-phenyl-butan-1-ol

: 62-23-7
4-nitro-benzoic acid

: 4-phenylbutyl 4-nitrobenzoate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 16h; Mitsunobu reaction;	100%

: 956483-60-6
C10H16O2

: 62-23-7
4-nitro-benzoic acid

: 956483-61-7
C17H19NO5

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane	100%

: 62-23-7
4-nitro-benzoic acid

: 572922-91-9
(2S,4S)-4-Hydroxy-2-((1R,2S)-1-methoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

: 572922-90-8
(2S,4S)-2-((1R,2S)-1-Methoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-(4-nitro-benzoyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	100%
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 22℃; for 4h;

: 3-(2,4-dichloro-benzyl)-1-(trans-4-hydroxy-cyclohexyl)-pyrrolidin-2-one

: 62-23-7
4-nitro-benzoic acid

: cis-4-nitro-benzoic acid 4-[3-(2,4-dichloro-benzyl)-2-oxo-pyrrolidin-1-yl]-cyclohexyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at -20 - 20℃;	100%

: 18107-18-1
diazomethyl-trimethyl-silane

: 62-23-7
4-nitro-benzoic acid

: 619-50-1
4-nitrobenzoic acid methyl ester

Conditions

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

: 106-95-6
allyl bromide

: 62-23-7
4-nitro-benzoic acid

: 15727-80-7
allyl 4-nitrobenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 24h; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide for 24h;	100%
With potassium fluoride; tetra(n-butyl)ammonium hydrogensulfate In tetrahydrofuran at 20℃; for 72h; Inert atmosphere;	88%
With potassium carbonate In N,N-dimethyl-formamide for 0.0833333h;	79%

: 944270-01-3
C20H21NO5

: 62-23-7
4-nitro-benzoic acid

: 1015426-38-6
C27H24N2O8

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate Mitsunobu reaction;	100%

: 13500-53-3
N-benzyloxycarbonyl-(2S,4R)-4-hydroxyproline benzyl ester

: 62-23-7
4-nitro-benzoic acid

: 1015426-34-2
C27H24N2O8

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate Mitsunobu reaction;	100%

: 291758-11-7
1,4-anhdyro-3,5-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-4-thio-D-ribitol

: 62-23-7
4-nitro-benzoic acid

: 1030358-69-0
1,4-anhydro-2-O-(p-nitrobenzoyl)-3,5-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-4-thio-D-arabitol

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 0.333333h; Mitsunobu reaction;	100%

p-Nitrobenzoic acid Chemical Properties

Molecular Structure of p-Nitrobenzoic acid (CAS NO.62-23-7):

IUPAC Name: 4-nitrobenzoic acid
Molecular Formula: C₇H₅NO₄
Molecular Weight :167.12
CAS Registry Number: 62-23-7
EINECS: 200-526-2
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 72.12 Å²
Index of Refraction: 1.615
Molar Refractivity: 39.72 cm³
Molar Volume: 113.8 cm³
Surface Tension: 66.4 dyne/cm
Density: 1.468 g/cm³
Flash Point: 166.5 °C
Enthalpy of Vaporization: 63.8 kJ/mol
Boiling Point: 359.1 °C at 760 mmHg
Vapour Pressure: 8.78E-06 mmHg at 25°C
Melting point: 237-240 °C(lit.)
Water Solubility: <0.1 g/100 mL at 26 ^oC
InChI
InChI=1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Smiles
c1(C(O)=O)ccc([N+](=O)[O-])cc1
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, cyanides, strong bases
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Absolute Configuration Determination (Exciton Chirality CD Method); Analytical Chemistry; Enantiomer Excess & Absolute Configuration Determination; Exciton Chirality CD Method (for Hydroxyl Groups);C7; Carbonyl Compounds; Carboxylic Acids

p-Nitrobenzoic acid Uses

p-Nitrobenzoic acid (CAS NO.62-23-7) is widespread used in explosive and dyestuff industries and as a chemical intermediate. p-Nitrobenzoic acid was tested using the p-Nitrobenzoic acid protocol to follow up on preliminary data from a 13-week prechronic study that found testicular atrophy and estrous cycle irregularities in B6C3F1 mice and as a structure-activity study in conjunction with other nitrobenzoic acids. Data from a 2-week dose-range-fnding study (Task 1) were used to set exposure concentrations for the Task 2 continuous cohabitation study at 0.35, 0.75, and 1.50% in feed. Based on mean feed consumption and body weight, the estimated daily dosages were approximately 0.5, 1.1, and 2.4 g/kg/day.

p-Nitrobenzoic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	880mg/kg (880mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: AGGRESSION	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
mouse	LD50	intravenous	770mg/kg (770mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: AGGRESSION	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
mouse	LD50	parenteral	1470mg/kg (1470mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: AGGRESSION	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
rat	LD50	intraperitoneal	1210mg/kg (1210mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
rat	LD50	oral	1960mg/kg (1960mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.
rat	LD50	parenteral	1960mg/kg (1960mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 160, Pg. 1097, 1966.

p-Nitrobenzoic acid Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

p-Nitrobenzoic acid Safety Profile

Moderately toxic by ingestion, intravenous, parenteral, and intraperitoneal routes. An eye irritant. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also Nitro compounds of aromatic hydrocarbons.
Hazard Codes: Harmful Xn
Risk Statements: 22-41
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: DH5075000
HS Code: 29163900

p-Nitrobenzoic acid Specification

p-Nitrobenzoic acid , with CAS number of 62-23-7, can be called p-Nitrobenzenecarboxylic acid ; Nitrodracylic acid ; p-Carboxynitrobenzene ; 4-Nitrobenzoic acid ; Benzoicacid, p-nitro- . It is a light yellow crystalline powder.

Product Name

p-Nitrobenzoic acid

Synthetic route

p-Nitrobenzoic acid Chemical Properties

p-Nitrobenzoic acid Uses

p-Nitrobenzoic acid Toxicity Data With Reference

p-Nitrobenzoic acid Consensus Reports

p-Nitrobenzoic acid Safety Profile

p-Nitrobenzoic acid Specification

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