Conditions | Yield |
---|---|
Stage #1: acetic anhydride; 4-amino-benzoic acid With pyridine at 20℃; for 5h; Stage #2: With hydrogenchloride In water pH=2 - 3; Stage #3: In water | 99% |
With pyridine at 20℃; for 5h; | 99% |
With formic acid at 55℃; under 450.045 Torr; for 2.66667h; Temperature; Pressure; | 96% |
Conditions | Yield |
---|---|
With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide In methanol; water; acetonitrile at 10℃; for 1h; | 98% |
With 4H3N*4H(1+)*CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h; | 98% |
With copper acetylacetonate; oxygen; sodium hydroxide; 1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene In water at 50℃; under 760.051 Torr; for 12h; Sealed tube; | 90% |
Conditions | Yield |
---|---|
In acetic acid for 2.25h; Reflux; chemoselective reaction; | 98% |
Conditions | Yield |
---|---|
With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 90℃; for 1h; Product distribution; Kinetics; var. concentration of reagents, var. temperature, var. time; | 97.9% |
With potassium permanganate In water for 1.5h; Heating; | 70% |
With cobalt(II) acetate; ozone; acetic acid at 95℃; for 10h; Kinetics; | 35.5% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 3h; Heating; | 91% |
With silica gel at 20℃; for 2.5h; Green chemistry; chemoselective reaction; | 82% |
With pyridine | |
With triethylamine In tetrahydrofuran at 20℃; |
Conditions | Yield |
---|---|
at 150℃; microwave irradiation; | 91% |
With magnesia In neat (no solvent) at 70℃; for 0.583333h; Green chemistry; chemoselective reaction; | 91% |
With aluminum oxide at 70℃; for 0.5h; Neat (no solvent); | 88% |
With zinc(II) acetate dihydrate for 0.1h; Microwave irradiation; Sealed tube; chemoselective reaction; | 81% |
With hydrazine hydrate for 4h; Heating; | 59% |
acetic anhydride
4-amino-benzoic acid
acetic acid
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
for 0.25h; Reflux; | 90% |
carbon dioxide
4-acetamidophenyl sulfurofluoridate
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Schlenk technique; Inert atmosphere; Glovebox; | 83% |
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
Stage #1: 4-acetylamino-benzoic acid allyl ester With sodium tetrahydroborate In dimethyl sulfoxide at 20℃; Stage #2: With hydrogenchloride; water In dimethyl sulfoxide for 0.5h; chemoselective reaction; | 81% |
With iodine; dimethyl sulfoxide for 0.5h; Heating; | 78% |
Conditions | Yield |
---|---|
With copper(ll) sulfate pentahydrate In methanol at 20℃; for 0.0833333h; | 79% |
4-(1-(hydroxyimino)ethyl)benzoic acid
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
Stage #1: 4-(1-(hydroxyimino)ethyl)benzoic acid With fluorosulfonyl fluoride; triethylamine In acetonitrile at 20℃; for 1h; Beckmann Rearrangement; Stage #2: With hydrogenchloride In water; acetonitrile at 20℃; Beckmann Rearrangement; | 79% |
acetic acid
4-Methylacetanilide
A
N-<4-(bromomethyl)phenyl>acetamide
B
para-acetamidobenzaldehyde
C
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With ozone; potassium bromide; cobalt(II) acetate at 95℃; Kinetics; Further Variations:; Reagents; Catalysts; | A n/a B n/a C 75% |
Conditions | Yield |
---|---|
With graphene oxide at 150℃; for 24h; | 71% |
tert-butylisonitrile
(4-acetylaminophenyl)boronic acid
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
Stage #1: tert-butylisonitrile; (4-acetylaminophenyl)boronic acid With copper diacetate; palladium diacetate In N,N-dimethyl-formamide at 100℃; for 24h; Molecular sieve; Sealed tube; Stage #2: With water In N,N-dimethyl-formamide Molecular sieve; Sealed tube; | 70% |
mono-O-acetyl maleic hydrazide
4-amino-benzoic acid
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 70 - 80℃; for 4h; | 68% |
2,4,6-triacetyloxy-1,3,5-triazine
4-amino-benzoic acid
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
at 25℃; for 0.166667h; neat (no solvent); | 66% |
4-Ethynyl-benzoic acid
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With trimethylsilylazide; silver carbonate; trifluoroacetic acid In water; 1,2-dichloro-ethane at 60℃; for 12h; Schlenk technique; Inert atmosphere; | 64% |
With (triphenylphosphine)gold(I) chloride; trimethylsilylazide; water; silver carbonate; trifluoroacetic acid In 1,2-dichloro-ethane at 60℃; Schlenk technique; Inert atmosphere; | 52% |
carbon dioxide
sodium 4-acetamidobenzenesulfonate
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
Stage #1: carbon dioxide; sodium p-acetaminobenzenesulfonate With copper(l) iodide; potassium tert-butylate; o-phenanthroline In dimethyl sulfoxide at 140℃; under 760.051 Torr; for 12h; Schlenk technique; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide Schlenk technique; | 63% |
carbon monoxide
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With Ru(2,2'-bipyridine)3Cl2·6H2O; water In acetonitrile at 20℃; under 37503.8 Torr; for 16h; Autoclave; Irradiation; | 63% |
zinc(II) acetate dihydrate
4-amino-benzoic acid
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
for 0.4h; Microwave irradiation; Sealed tube; chemoselective reaction; | 51% |
Conditions | Yield |
---|---|
sodium methylate In ethylene glycol at 75 - 135℃; for 26h; Conversion of starting material; | 48% |
Conditions | Yield |
---|---|
With potassium permanganate |
acetic acid-[4-(trans-2-chloro-vinyl)-anilide]
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With potassium permanganate; acetone |
acetic acid-(4-trichloroacetyl-anilide)
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide |
Conditions | Yield |
---|---|
With water; tin(ll) chloride; iron(II) chloride | |
With copper(l) chloride; tin(ll) chloride |
Conditions | Yield |
---|---|
With water |
Conditions | Yield |
---|---|
With perchloric acid |
Conditions | Yield |
---|---|
With acetic acid |
sodium acetate
4-amino-benzoic acid
acetic acid
p-(acetylamino)benzoic acid
4-amino-benzoic acid
4-nitrophenol acetate
A
p-nitrophenolate
B
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With borate buffer; azoniacyclophane CP66 In 1,4-dioxane at 25℃; Rate constant; |
p-(acetylamino)benzoic acid
potassium 4-acetamidobenzoate
Conditions | Yield |
---|---|
With potassium tert-butylate In ethanol at 20℃; for 3h; | 97% |
With potassium tert-butylate In ethanol at 20℃; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
In acetonitrile at 60℃; for 5h; | 97% |
p-(acetylamino)benzoic acid
thiophenol
4-Acetylamino-thiobenzoic acid S-phenyl ester
Conditions | Yield |
---|---|
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature; | 96% |
Conditions | Yield |
---|---|
With water; sodium carbonate In ethanol for 2h; Heating; | 96% |
p-(acetylamino)benzoic acid
Conditions | Yield |
---|---|
With tetramethylammonium trifluoromethanethiolate In acetonitrile at 20℃; for 1.5h; | 96% |
With sodium fluoride; ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate at 20℃; for 24h; Inert atmosphere; | 71% |
With potassium 2-(difluoro(trifluoromethoxy)methoxy)-2,2-difluoroacetate In acetonitrile at 80℃; for 1h; Schlenk technique; Sealed tube; Inert atmosphere; | 65% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
With 4,4'-dimethoxyphenyl disulfide; iridium(lll) bis[2-(2,4-difluorophenyl)-5-methylpyridine-N,C20]-4,40-di-tert-butyl-2,20-bipyridine hexafluorophosphate; triphenylphosphine In toluene for 24h; Irradiation; | 94% |
With palladium(II) acetylacetonate; hydrogen; 2,2-dimethylpropanoic anhydride; dicyclohexylphenylphosphine In tetrahydrofuran at 80℃; under 3750.38 Torr; for 20h; Inert atmosphere; | 91% |
With potassium phosphate; sodium hypophosphite; 2,2-dimethylpropanoic anhydride; palladium diacetate; tricyclohexylphosphine In tetrahydrofuran at 60℃; for 16h; | 69% |
With glycerol-3-Phosphate Dehydrogenase; D-glucose; NADP+; Nocardia PPTase; Segniliparus CAR; ATP; coenzyme A; magnesium chloride In dimethyl sulfoxide at 35℃; for 16h; pH=9; Enzymatic reaction; |
p-(acetylamino)benzoic acid
tegaserod
Conditions | Yield |
---|---|
In ethanol at 25 - 65℃; for 20h; | 93.5% |
tert-butyldimethylsilyl cyanide
p-(acetylamino)benzoic acid
C15H23NO3Si
Conditions | Yield |
---|---|
at 80℃; for 0.0833333h; | 93% |
p-(acetylamino)benzoic acid
dimethyl dicarbonate
methyl 4-acetamidobenzoate
Conditions | Yield |
---|---|
magnesium(II) perchlorate In nitromethane at 40℃; for 16h; | 93% |
p-(acetylamino)benzoic acid
4-acetylamino-3-iodo-benzoic acid
Conditions | Yield |
---|---|
With sodium percarbonate; sulfuric acid; iodine; acetic anhydride; acetic acid at 45 - 50℃; for 2h; | 92% |
With sodium periodate; sulfuric acid; potassium iodide at 25 - 30℃; for 1h; | 65% |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; tris(methyl salicylate)phoshate ester at 20℃; for 0.333333h; chemoselective reaction; | 92% |
p-(acetylamino)benzoic acid
(4-acetaminophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-yl]-methanone
Conditions | Yield |
---|---|
Stage #1: p-(acetylamino)benzoic acid With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine In N,N-dimethyl-formamide at 20℃; | 91% |
Conditions | Yield |
---|---|
Stage #1: p-(acetylamino)benzoic acid; 4-methoxycarbonyl aniline With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 60℃; for 24h; Stage #2: With ethanol; water; lithium hydroxide In tetrahydrofuran at 70℃; for 12h; | 91% |
Conditions | Yield |
---|---|
With pepsin immobilized on terephthalaldehyde functionalized chitosan magnetic nanoparticle In acetonitrile at 20℃; for 48h; pH=2; | 90% |
With ammonium bromide; ethylenediamine at 70℃; for 5h; Microwave irradiation; Inert atmosphere; neat (no solvent); | 81% |
With hydrogenchloride | |
With ethanol at 60℃; Acidic conditions; |
p-(acetylamino)benzoic acid
carbonic acid dimethyl ester
methyl 4-acetamidobenzoate
Conditions | Yield |
---|---|
With layered double hydroxide - supported L-methionine at 180℃; for 6h; Autoclave; chemoselective reaction; | 90% |
p-(acetylamino)benzoic acid
tert–butyl (2–aminophenyl)carbamate
tert-butyl (2-(4-acetamidobenzamido)phenyl)carbamate
Conditions | Yield |
---|---|
With pyridine; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate at 23℃; for 48h; Product distribution / selectivity; | 90% |
With pyridine; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate at 23℃; for 48h; | 90% |
With pyridine; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate In methanol at 23℃; for 48h; Reagent/catalyst; Solvent; Time; | 90% |
Conditions | Yield |
---|---|
Stage #1: p-(acetylamino)benzoic acid With trichloroisocyanuric acid; triphenylphosphine In toluene at 0℃; for 0.25h; Stage #2: potassium thioacyanate In toluene at 0 - 20℃; for 1.5h; | 90% |
tert.-butylhydroperoxide
p-(acetylamino)benzoic acid
4-Acetylamino-benzenecarboperoxoic acid tert-butyl ester
Conditions | Yield |
---|---|
With diethyl cyanophosphonate; triethylamine In N,N-dimethyl-formamide 0 deg C, 1.5 h; RT, 2 h; | 88% |
Conditions | Yield |
---|---|
With polyphosphoric acid at 60℃; for 6h; Temperature; | 87.72% |
p-(acetylamino)benzoic acid
dibenzyl dicarbonate
Conditions | Yield |
---|---|
magnesium(II) perchlorate In nitromethane at 40℃; for 16h; | 87% |
Conditions | Yield |
---|---|
Stage #1: p-(acetylamino)benzoic acid With N-chlorobenzotriazole; triphenylphosphine In dichloromethane for 0.25h; Stage #2: benzylamine With triethylamine In dichloromethane at 20℃; for 0.666667h; | 87% |
p-(acetylamino)benzoic acid
phenylboronic acid
N-(4-benzoylphenyl)acetamide
Conditions | Yield |
---|---|
Stage #1: p-(acetylamino)benzoic acid With di(succinimido) carbonate; sodium carbonate; tricyclohexylphosphine; palladium(II) hexafluoroacetylacetonate In tetrahydrofuran at 60℃; Stage #2: phenylboronic acid In tetrahydrofuran at 60℃; for 20h; Further stages.; | 86% |
With palladium diacetate; 2,2-dimethylpropanoic anhydride; triphenylphosphine In tetrahydrofuran; water at 60℃; for 16h; | 85% |
With 2,2-dimethylpropanoic anhydride; triphenylphosphine In tetrahydrofuran; water at 60℃; for 16h; | 85% |
With P(p-CH3OC6H4)3; water; dimethyl dicarbonate; palladium diacetate In tetrahydrofuran at 50℃; for 16h; | 69% |
This chemical is called Benzoic acid, 4-(acetylamino)-, and its systematic name is 4-(acetylamino)benzoic acid. With the molecular formula of C9H9NO3, its molecular weight is 179.17. The CAS registry number of this chemical is 556-08-1. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.
Other characteristics of the Benzoic acid, 4-(acetylamino)- can be summarised as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 47.45 cm3; (15)Molar Volume: 135 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.326 g/cm3; (19)Flash Point: 219.7 °C; (20)Enthalpy of Vaporization: 73.42 kJ/mol; (21)Boiling Point: 439.6 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-08 mmHg at 25°C.
Production method of this chemical: The Benzoic acid, 4-(acetylamino)- could be obtained by the reactants of 4-amino-benzoic acid and acetyl chloride. This reaction needs the reagent of pyridine.
Uses of this chemical: The Benzoic acid, 4-(acetylamino)- could react with 1-(2-hydroxy-phenyl)-ethanone, and obtain the 4-acetylamino-benzoic acid 2-acetyl-phenyl ester. This reaction needs the reagent of pyridine, and the solvent of POCl3. The yield is 42 %. In addition, this reaction should be taken at the temperature of 60-80 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccc(cc1)C(=O)O)C
2.InChI: InChI=1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
3.InChIKey: QCXJEYYXVJIFCE-UHFFFAOYAT
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