N-Phenyl-isobutyloylacetamide supplier

Name
N-Phenyl-isobutyloylacetamide
EINECS 1308068-626-2
CAS No. 124401-38-3
Article Data27
CAS DataBase
Density 1.103 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 384.409 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 158.792 °C
Transport Information
Appearance Yellow oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-3-oxopentanoicacid anilide;4-Methyl-3-oxopentanoic acid phenylamide;N-Phenyl-4-methyl-3-oxopentanamide;Pentanamide,4-methyl-3-oxo-N-phenyl-;
PSA 46.17000
LogP 2.31330

Synthetic route

: 42558-54-3
Methyl 4-methyl-3-oxopentanoate

: 62-53-3
aniline

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With dmap at 100℃; for 16h;	96.4%
With triethylamine at 80 - 125℃;	92.7%
With sodium hydroxide In neat (no solvent) at 135℃; for 12h;	92%

: 62-53-3
aniline

: isobutyryl Meldrum's acid

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
In toluene Acylation; ring cleavage; Heating;	96%

: 62-53-3
aniline

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With triethylamine In toluene for 4h; Reflux;	92%
In toluene for 3h; Reflux;	81%
With acetic acid In toluene for 4h; Heating;	66%
With pyridine In toluene for 16h; Reflux;

: 1236069-48-9
C21H31N3O4

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃; for 0.666667h;	88%

: 7152-15-0
ethyl 4-methyl-3-oxo-pentanoate

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With aniline In acetic acid; ethyl acetate; toluene	66%

: 42558-54-3
Methyl 4-methyl-3-oxopentanoate

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With ethylenediamine; aniline In water; toluene
With aniline In water; ethylenediamine; toluene

toluene-water: toluene-water

: 42558-54-3
Methyl 4-methyl-3-oxopentanoate

A 4-Methyl-3-oxo N phenylpentamide: 4-Methyl-3-oxo N phenylpentamide

B: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With ethylenediamine; aniline In water; toluene

...Expand

toluene-water: toluene-water

: 42558-54-3
Methyl 4-methyl-3-oxopentanoate

A 4-Methyl-3-oxo-N-phenylpentamide: 4-Methyl-3-oxo-N-phenylpentamide

B: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With ethylenediamine; aniline In water; toluene

...Expand

: 563-80-4
3-methyl-butan-2-one

: 103-71-9
phenyl isocyanate

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With sodium hydride In toluene; mineral oil Inert atmosphere; Reflux;

: 563-80-4
3-methyl-butan-2-one

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydride / 1,4-dioxane; mineral oil / 0.17 h / 20 °C 1.2: 3 h / 50 °C 2.1: triethylamine / toluene / 6 h / 70 - 120 °C View Scheme
Multi-step reaction with 2 steps 1: potassium tert-butylate / tetrahydrofuran / 8 h / 60 °C / Inert atmosphere 2: ethylenediamine / 5,5-dimethyl-1,3-cyclohexadiene / 4 h / 140 - 150 °C / Inert atmosphere View Scheme

: 5650-76-0
isobutyrylacetic acid

: 62-53-3
aniline

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With triethylamine In toluene at 85℃; for 4h;	67 g

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 1439365-82-8
2,2-Difluoro-4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With Selectfluor In water; acetonitrile at 20℃; for 16h; Schlenk technique; Sealed tube; chemoselective reaction;	99%
With 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2 2 2]octane bis(tetrafluoroborate); potassium carbonate In water at 20℃; for 15h;	94%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 1026394-65-9
2-fluoro-4-methyl-3-oxo-N-phenylpentanamide

Conditions

Conditions	Yield
With Selectfluor In PEG-400 at 60℃; for 17h;	96%
With Selectfluor In water; acetonitrile at 20℃; for 4h; Schlenk technique; Sealed tube; chemoselective reaction;	94%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: C12H16N2O

Conditions

Conditions	Yield
With ammonium carbamate In methanol at 20℃;	96%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 100-52-7
benzaldehyde

: 125971-57-5
4-methyl-3-oxo-N-phenyl-2-(phenylmethylene)pentanamide

Conditions

Conditions	Yield
With 4-amino-phenol; acetic acid In hexane for 24h; Reflux;	94%
With acetic acid; 3-amino propanoic acid In hexane Heating;	85%
With ionic tagged amine supported on magneticnanoparticle In water at 80℃; for 4h; Knoevenagel Condensation;	84%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 698-16-8
benzohydroximoyl chloride

: 5-isopropyl-N,3-diphenylisoxazole-4-carboxamide

Conditions

Conditions	Yield
With triethylamine; N,N,N',N'-tetramethylguanidine In methanol at 80℃; for 48h; Inert atmosphere;	93%
With triethylamine; N,N,N',N'-tetramethylguanidine In methanol at 80℃; for 48h; regioselective reaction;	72%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 807361-46-2
2-bromo-4-methyl-3-oxo-pentanoic acid phenylamide

Conditions

Conditions	Yield
With N-Bromosuccinimide In acetone for 3h;	92%
With bromine In chloroform for 0.5h;	80%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 15424-14-3
N-phenylbenzohydrazonoyl chloride

: 5-isopropyl-N,1,3-triphenyl-1H-pyrazole-4-carboxamide

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 72h; Inert atmosphere; Green chemistry;	92%
With dmap; triethylamine In chloroform at 80℃; for 48h; regioselective reaction;	92%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 100-52-7
benzaldehyde

: 222320-29-8
4-Methyl-3-oxo-N-phenyl-2(phenylmethylene)pentanamide

Conditions

Conditions	Yield
With acetic acid; 3-amino propanoic acid In hexane Heating;	90%
With acetic acid In toluene

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 158836-48-7
2-diazo-5-methylcyclohexane-1,3-dione

: (E)-3-(1-hydroxy-2-methylpropylidene)-6-methyl-3,5,6,7-tetrahydrobenzofuran-2,4-dione

Conditions

Conditions	Yield
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; acetic acid In 1,2-dichloro-ethane at 70℃; for 4h; Inert atmosphere; chemoselective reaction;	90%

: 1807-68-7
diazodimedone

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: (E)-3-(1-hydroxy-2-methylpropylidene)-6,6-dimethyl-3,5,6,7-tetrahydrobenzofuran-2,4-dione

Conditions

Conditions	Yield
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; acetic acid In 1,2-dichloro-ethane at 70℃; for 4h; Inert atmosphere; chemoselective reaction;	89%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 100-52-7
benzaldehyde

: 222320-17-4
4-methyl-3-oxo-N-phenyl-2-(phenylmethylene) pentanamide

Conditions

Conditions	Yield
With amine functionalized silica coated Fe3O4 nanoparticles In water at 20℃; for 0.416667h; Knoevenagel Condensation; Sonication; Green chemistry;	87%
With acetic acid; 3-amino propanoic acid In toluene at 130℃; for 12h;	29.18%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 2,6-di-tert-butyl-4-(2-hydroxybenzylidene)-2,5-cyclohexadiene-1-one

: C33H43NO4

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 48h; Inert atmosphere;	87%

: 1504-58-1
3-Phenyl-2-propyn-1-ol

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 1416150-78-1
3-iso-butyryl-1,4-diphenyl-2-pyridone

Conditions

Conditions	Yield
With 2-tert-butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine; ruthenium(IV) oxide hydrate; oxygen In tetrahydrofuran under 760.051 Torr; for 12h; Reflux; regioselective reaction;	86%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 2-diazo-5-furan-2-yl-cyclohexane-1,3-dione

: (E)-6-(furan-2-yl)-3-(1-hydroxy-2-methylpropylidene)-3,5,6,7-tetrahydrobenzofuran-2,4-dione

Conditions

Conditions	Yield
With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; acetic acid In 1,2-dichloro-ethane at 70℃; for 4h; Inert atmosphere; chemoselective reaction;	86%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 108-91-8
cyclohexylamine

: 124401-40-7
3-(cyclohexylamino)-4-methylpent-2(E)-enoic acid anilide

Conditions

Conditions	Yield
With acetic acid In toluene for 20h; Heating;	82%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 88522-72-9
1-(4-fluoro-phenyl)-2-hydroxy-2-phenylethanone

: 5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide

Conditions

Conditions	Yield
With ammonium acetate In acetic acid at 110 - 120℃; for 2h;	81%

: 88675-31-4
2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

A: 347-84-2
1-(4-fluorophenyl)-2-phenylethanone

B: 125971-96-2
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 5h; Reagent/catalyst; Time; Darkness;	A n/a B 80%

...Expand

: 88675-31-4
2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 125971-96-2
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

Conditions

Conditions	Yield
With potassium carbonate In acetone for 2h; Reflux;	78%
With potassium carbonate In acetone at 18.5 - 26℃; Product distribution / selectivity;	77.7%
With potassium carbonate In acetone at 18 - 26℃;	74%

: 102-96-5
(2-nitroethenyl)benzene

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 62-53-3
aniline

: 2-isopropyl-N,1,4-triphenyl-1H-pyrrole-3-carboxamide

Conditions

Conditions	Yield
With zirconocene dichloride In ethanol at 80℃; for 1.5h;	75%

...Expand

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 107-19-7
propargyl alcohol

: 2-isopropyl-4-methyl-N-phenylfuran-3-carboxamide

Conditions

Conditions	Yield
With triethylamine; silver carbonate In acetonitrile at 80℃; for 12h; Inert atmosphere; Molecular sieve; regioselective reaction;	75%

: 62148-67-8
2-chloro-1-(4-fluorophenyl)-2-phenylethan-1-one

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 125971-96-2
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

Conditions

Conditions	Yield
With potassium carbonate In acetone at 25 - 60℃; Reflux;	74%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 94-41-7
benzalacetophenone

: 1398101-64-8
2-isopropyl-N,4,6-triphenylnicotinamide

Conditions

Conditions	Yield
With ammonium cerium (IV) nitrate; ammonium acetate In ethanol at 50℃; for 24h;	74%

: 5153-69-5, 706-08-1
4-fluoro-β-nitrostyrene

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 62-53-3
aniline

: 122223-62-5
4-(4-fluorophenyl)-2-isopropyl-N,1-diphenyl-1H-pyrrole-3-carboxamide

Conditions

Conditions	Yield
With zirconocene dichloride In ethanol at 80℃; for 1.5h;	74%

...Expand

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 2,6-di-tert-butyl-4-(2-hydroxybenzylidene)-2,5-cyclohexadiene-1-one

: C33H39NO3

Conditions

Conditions	Yield
Stage #1: 4-methyl-3-oxo-N-phenylpentanamide; 2,6-di-tert-butyl-4-(2-hydroxybenzylidene)cyclohex-2,5-diene-1-one With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In dichloromethane at 20℃; for 72h; Stage #2: With toluene-4-sulfonic acid In toluene at 110℃; for 1h; enantioselective reaction;	74%

Yield

Stage #1: 4-methyl-3-oxo-N-phenylpentanamide; 2,6-di-tert-butyl-4-(2-hydroxybenzylidene)cyclohex-2,5-diene-1-one With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In dichloromethane at 20℃; for 72h;
Stage #2: With toluene-4-sulfonic acid In toluene at 110℃; for 1h; enantioselective reaction;

74%

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 125971-96-2
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

Conditions

Conditions	Yield
With potassium carbonate In isopropyl alcohol at 10 - 45℃; Product distribution / selectivity;	73%
Multi-step reaction with 2 steps 1: β-alanine; glacial acetic acid / hexane / Heating 2: 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide; triethylamine / ethanol / Heating View Scheme
Multi-step reaction with 2 steps 1.1: acetic acid; 4-amino-phenol / hexane / 24 h / Reflux 2.1: triethylamine; 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide / neat (no solvent) / 16 h / 75 °C / Inert atmosphere 2.2: 4 h / 25 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: glycine; acetic acid / n-heptane / 8 h / Inert atmosphere; Reflux 2: 10 h / 20 °C / Inert atmosphere View Scheme

: 7559-36-6
4-methyl-β-nitrostyrene

: 124401-38-3
4-methyl-3-oxo-N-phenylpentanamide

: 62-53-3
aniline

: 2-isopropyl-N,1-diphenyl-4-p-tolyl-1H-pyrrole-3-carboxamide

Conditions

Conditions	Yield
With zirconocene dichloride In ethanol at 80℃; for 1.5h;	73%

...Expand

N-Phenyl-isobutyloylacetamide Chemical Properties

Molecular structure of N-Phenyl-isobutyloylacetamide (CAS NO.124401-38-3) is:

Product Name: N-Phenyl-isobutyloylacetamide
CAS Registry Number: 124401-38-3
Molecular Formula: C₁₂H₁₅NO₂
Molecular Weight: 205.25
Surface Tension: 41.644 dyne/cm
Density: 1.103 g/cm³
Flash Point: 158.792 °C
Enthalpy of Vaporization: 63.308 kJ/mol
Boiling Point: 384.409 °C at 760 mmHg
Index of Refraction: 1.548
Molar Refractivity: 59.044 cm³
Molar Volume: 186.04 cm³
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Aromatics Compounds;Aromatics;Miscellaneous Reagents

N-Phenyl-isobutyloylacetamide Specification

N-Phenyl-isobutyloylacetamide , its cas register number is 124401-38-3. It also can be called Pentanamide,4-methyl-3-oxo-N-phenyl- ; 4-Methyl-3-oxopentanoic acid anilide ; 4-Methyl-3-oxopentanoic acid phenylamide ; 4-Methyl-3-oxo-N-phenyl-pentanamide .It is a yellow oil.

Product Name

N-Phenyl-isobutyloylacetamide

Synthetic route

N-Phenyl-isobutyloylacetamide Chemical Properties

N-Phenyl-isobutyloylacetamide Specification

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