Product Name

  • Name

    p-Acetylamino benzoic acid

  • EINECS 209-114-7
  • CAS No. 556-08-1
  • Article Data111
  • CAS DataBase
  • Density 1.326 g/cm3
  • Solubility <0.1 g/100 mL at 21 °C in water
  • Melting Point 259-262 °C (dec.)(lit.)
  • Formula C9H9NO3
  • Boiling Point 439.6 °C at 760 mmHg
  • Molecular Weight 179.175
  • Flash Point 219.7 °C
  • Transport Information
  • Appearance white to beige in colour crystalline powder
  • Safety 24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 556-08-1 (p-Acetylamino benzoic acid)
  • Hazard Symbols
  • Synonyms Benzoicacid, p-acetamido- (6CI,7CI,8CI);4-(Acetylamino)benzoic acid;4-Acetamidobenzoic acid;4'-Carboxyacetanilide;Acedoben;N-Acetyl-p-aminobenzoicacid;NSC 4002;p-(Acetoamino)benzoic acid;p-(Acetylamino)benzoic acid;p-Acetamidobenzoic acid;p-Acetaminobenzoic acid;
  • PSA 66.40000
  • LogP 1.41620

Synthetic route

acetic anhydride
108-24-7

acetic anhydride

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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%
para-acetamidobenzaldehyde
122-85-0

para-acetamidobenzaldehyde

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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%
zinc diacetate
557-34-6

zinc diacetate

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
In acetic acid for 2.25h; Reflux; chemoselective reaction;98%
4-Methylacetanilide
103-89-9

4-Methylacetanilide

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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%
4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

acetyl chloride
75-36-5

acetyl chloride

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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℃;
4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

acetic acid
64-19-7

acetic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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
108-24-7

acetic anhydride

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

acetic acid
64-19-7

acetic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
for 0.25h; Reflux;90%
carbon dioxide
124-38-9

carbon dioxide

4-acetamidophenyl sulfurofluoridate
16704-37-3

4-acetamidophenyl sulfurofluoridate

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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%
4-acetylamino-benzoic acid allyl ester

4-acetylamino-benzoic acid allyl ester

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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%
4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

thioacetic acid
507-09-5

thioacetic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With copper(ll) sulfate pentahydrate In methanol at 20℃; for 0.0833333h;79%
4-(1-(hydroxyimino)ethyl)benzoic acid
91004-29-4

4-(1-(hydroxyimino)ethyl)benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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
64-19-7

acetic acid

4-Methylacetanilide
103-89-9

4-Methylacetanilide

A

N-<4-(bromomethyl)phenyl>acetamide
66047-05-0

N-<4-(bromomethyl)phenyl>acetamide

B

para-acetamidobenzaldehyde
122-85-0

para-acetamidobenzaldehyde

C

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With ozone; potassium bromide; cobalt(II) acetate at 95℃; Kinetics; Further Variations:; Reagents; Catalysts;A n/a
B n/a
C 75%
acetamide
60-35-5

acetamide

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With graphene oxide at 150℃; for 24h;71%
tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

(4-acetylaminophenyl)boronic acid
101251-09-6

(4-acetylaminophenyl)boronic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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
15456-83-4

mono-O-acetyl maleic hydrazide

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70 - 80℃; for 4h;68%
2,4,6-triacetyloxy-1,3,5-triazine
13483-16-4

2,4,6-triacetyloxy-1,3,5-triazine

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
at 25℃; for 0.166667h; neat (no solvent);66%
4-Ethynyl-benzoic acid
10602-00-3

4-Ethynyl-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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
124-38-9

carbon dioxide

sodium 4-acetamidobenzenesulfonate
6034-54-4

sodium 4-acetamidobenzenesulfonate

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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
201230-82-2

carbon monoxide

4-(acetylamino)benzenediazonium tetrafluoroborate

4-(acetylamino)benzenediazonium tetrafluoroborate

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
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
5970-45-6

zinc(II) acetate dihydrate

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
for 0.4h; Microwave irradiation; Sealed tube; chemoselective reaction;51%
sodium benzoate
532-32-1

sodium benzoate

ethyl acetate
141-78-6

ethyl acetate

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
sodium methylate In ethylene glycol at 75 - 135℃; for 26h; Conversion of starting material;48%
N-[4-(chloroacetyl)phenyl]acetamide
140-49-8

N-[4-(chloroacetyl)phenyl]acetamide

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With potassium permanganate
acetic acid-[4-(trans-2-chloro-vinyl)-anilide]
99058-20-5

acetic acid-[4-(trans-2-chloro-vinyl)-anilide]

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With potassium permanganate; acetone
acetic acid-(4-trichloroacetyl-anilide)
103501-31-1

acetic acid-(4-trichloroacetyl-anilide)

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With sodium hydroxide
acetic anhydride
108-24-7

acetic anhydride

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With water; tin(ll) chloride; iron(II) chloride
With copper(l) chloride; tin(ll) chloride
Ketene
463-51-4

Ketene

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With water
N-acetylacetamide
625-77-4

N-acetylacetamide

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With perchloric acid
sodium acetate
127-09-3

sodium acetate

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With acetic acid
sodium acetate
127-09-3

sodium acetate

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

acetic acid
64-19-7

acetic acid

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

4-nitrophenol acetate
830-03-5

4-nitrophenol acetate

A

p-nitrophenolate
14609-74-6

p-nitrophenolate

B

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

Conditions
ConditionsYield
With borate buffer; azoniacyclophane CP66 In 1,4-dioxane at 25℃; Rate constant;
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

potassium 4-acetamidobenzoate
1086406-22-5

potassium 4-acetamidobenzoate

Conditions
ConditionsYield
With potassium tert-butylate In ethanol at 20℃; for 3h;97%
With potassium tert-butylate In ethanol at 20℃; Inert atmosphere;97%
edoxaban

edoxaban

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

C24H30ClN7O4S*C9H9NO3

C24H30ClN7O4S*C9H9NO3

Conditions
ConditionsYield
In acetonitrile at 60℃; for 5h;97%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

thiophenol
108-98-5

thiophenol

4-Acetylamino-thiobenzoic acid S-phenyl ester
75839-79-1

4-Acetylamino-thiobenzoic acid S-phenyl ester

Conditions
ConditionsYield
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;96%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

α-bromoacetophenone
70-11-1

α-bromoacetophenone

4-Acetylamino-benzoic acid 2-oxo-2-phenyl-ethyl ester

4-Acetylamino-benzoic acid 2-oxo-2-phenyl-ethyl ester

Conditions
ConditionsYield
With water; sodium carbonate In ethanol for 2h; Heating;96%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-acetamidobenzoyl fluoride

4-acetamidobenzoyl fluoride

Conditions
ConditionsYield
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%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

3-hydroxy-2-methyl-1-propene
513-42-8

3-hydroxy-2-methyl-1-propene

2-methylallyl 4-acetamidobenzoate

2-methylallyl 4-acetamidobenzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere;96%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

para-acetamidobenzaldehyde
122-85-0

para-acetamidobenzaldehyde

Conditions
ConditionsYield
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
556-08-1

p-(acetylamino)benzoic acid

tegaserod
1044642-88-7

tegaserod

3-(5-methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide acetamidobenzoate

3-(5-methoxy-1H-indol-3-ylmethylene)-N-pentylcarbazimidamide acetamidobenzoate

Conditions
ConditionsYield
In ethanol at 25 - 65℃; for 20h;93.5%
tert-butyldimethylsilyl cyanide
56522-24-8

tert-butyldimethylsilyl cyanide

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

C15H23NO3Si
103202-03-5

C15H23NO3Si

Conditions
ConditionsYield
at 80℃; for 0.0833333h;93%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

dimethyl dicarbonate
4525-33-1

dimethyl dicarbonate

methyl 4-acetamidobenzoate
17012-22-5

methyl 4-acetamidobenzoate

Conditions
ConditionsYield
magnesium(II) perchlorate In nitromethane at 40℃; for 16h;93%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-acetylamino-3-iodo-benzoic acid
190071-24-0

4-acetylamino-3-iodo-benzoic acid

Conditions
ConditionsYield
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%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

benzene
71-43-2

benzene

N-(4-benzoylphenyl)acetamide
4834-61-1

N-(4-benzoylphenyl)acetamide

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; tris(methyl salicylate)phoshate ester at 20℃; for 0.333333h; chemoselective reaction;92%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

(4-acetaminophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-yl]-methanone
213461-22-4

(4-acetaminophenyl)-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-yl]-methanone

Conditions
ConditionsYield
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%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-methoxycarbonyl aniline
619-45-4

4-methoxycarbonyl aniline

C16H14N2O4

C16H14N2O4

Conditions
ConditionsYield
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%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-amino-benzoic acid
150-13-0

4-amino-benzoic acid

Conditions
ConditionsYield
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
556-08-1

p-(acetylamino)benzoic acid

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

methyl 4-acetamidobenzoate
17012-22-5

methyl 4-acetamidobenzoate

Conditions
ConditionsYield
With layered double hydroxide - supported L-methionine at 180℃; for 6h; Autoclave; chemoselective reaction;90%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

tert–butyl (2–aminophenyl)carbamate
146651-75-4

tert–butyl (2–aminophenyl)carbamate

tert-butyl (2-(4-acetamidobenzamido)phenyl)carbamate
1299346-13-6

tert-butyl (2-(4-acetamidobenzamido)phenyl)carbamate

Conditions
ConditionsYield
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%
potassium thioacyanate
333-20-0

potassium thioacyanate

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-acetamidobenzoyl isothiocyanate

4-acetamidobenzoyl isothiocyanate

Conditions
ConditionsYield
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
75-91-2

tert.-butylhydroperoxide

p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

4-Acetylamino-benzenecarboperoxoic acid tert-butyl ester
93915-79-8

4-Acetylamino-benzenecarboperoxoic acid tert-butyl ester

Conditions
ConditionsYield
With diethyl cyanophosphonate; triethylamine In N,N-dimethyl-formamide 0 deg C, 1.5 h; RT, 2 h;88%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

2-hydroxy-5-nitroaniline
99-57-0

2-hydroxy-5-nitroaniline

N-(4-(5-nitrobenzo[d]oxazol-2-yl)phenyl)acetamide

N-(4-(5-nitrobenzo[d]oxazol-2-yl)phenyl)acetamide

Conditions
ConditionsYield
With polyphosphoric acid at 60℃; for 6h; Temperature;87.72%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

dibenzyl dicarbonate
31139-36-3

dibenzyl dicarbonate

4-acetylamino-benzoic acid benzyl ester

4-acetylamino-benzoic acid benzyl ester

Conditions
ConditionsYield
magnesium(II) perchlorate In nitromethane at 40℃; for 16h;87%
p-(acetylamino)benzoic acid
556-08-1

p-(acetylamino)benzoic acid

benzylamine
100-46-9

benzylamine

4-acetamido-N-benzylbenzamide

4-acetamido-N-benzylbenzamide

Conditions
ConditionsYield
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
556-08-1

p-(acetylamino)benzoic acid

phenylboronic acid
98-80-6

phenylboronic acid

N-(4-benzoylphenyl)acetamide
4834-61-1

N-(4-benzoylphenyl)acetamide

Conditions
ConditionsYield
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%

p-Acetylamino benzoic acid Specification

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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