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125971-96-2

125971-96-2

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  • High quality 4-Fluoro-A-[2-Methyl-1-Oxopropyl]-Γ-Oxo-N,Β- Diphenylbenzene Butaneamide supplier in China

    Cas No: 125971-96-2

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  • 2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide, Atrovastatin Intermediate M4, 125971-96-2

    Cas No: 125971-96-2

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  • High Quality 99% 4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-N,bata-diphenylbenzene butaneamide 125971-96-2 ISO Manufacturer

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125971-96-2 Usage

Chemical Properties

White to Off-White Solid

Uses

Different sources of media describe the Uses of 125971-96-2 differently. You can refer to the following data:
1. An Atorvastatin intermediate. Atorvastatin is a selective, competitive HMG-CoA reductase inhibitor. The only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
2. An Atorvastatin intermediate. Atorvastatin is a selective, competitive HMG-CoA reductase inhibitor. The only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia

Check Digit Verification of cas no

The CAS Registry Mumber 125971-96-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,5,9,7 and 1 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 125971-96:
(8*1)+(7*2)+(6*5)+(5*9)+(4*7)+(3*1)+(2*9)+(1*6)=152
152 % 10 = 2
So 125971-96-2 is a valid CAS Registry Number.
InChI:InChI=1/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)

125971-96-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-(4-Fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide

1.2 Other means of identification

Product number -
Other names 2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:125971-96-2 SDS

125971-96-2Synthetic route

3-phenylpropynoic acid phenylamide
7342-02-1

3-phenylpropynoic acid phenylamide

4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

isobutyraldehyde
78-84-2

isobutyraldehyde

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

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

Conditions
ConditionsYield
With copper(II) hexafluoroantimonate; C32H44Cl2N4O6Pd In tetrahydrofuran at 50 - 60℃; for 24h; Solvent; Reagent/catalyst; Inert atmosphere;87.5%
2-chloro-1-(4-fluorophenyl)-2-phenylethan-1-one
62148-67-8

2-chloro-1-(4-fluorophenyl)-2-phenylethan-1-one

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

4-methyl-3-oxo-N-phenylpentanamide

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

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

Conditions
ConditionsYield
With potassium carbonate In acetone at 25 - 60℃; Reflux;74%
2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one
88675-31-4

2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one

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

4-methyl-3-oxo-N-phenylpentanamide

A

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

1-(4-fluorophenyl)-2-phenylethanone

B

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

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

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃; for 5h; Reagent/catalyst; Time; Darkness;A n/a
B 80%
4-methyl-3-oxo-N-phenylpentanamide
124401-38-3

4-methyl-3-oxo-N-phenylpentanamide

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

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

Conditions
ConditionsYield
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
2-benzylidine isobutyryl acetanilide

2-benzylidine isobutyryl acetanilide

4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

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

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

Conditions
ConditionsYield
With triethylamine; 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide In tetrahydrofuran at 60 - 70℃; for 16 - 24h; Stetter reaction;
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

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

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

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

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

Conditions
ConditionsYield
Stage #1: 4-fluorobenzaldehyde; 4-methyl-3-oxo-N-phenyl-2-(phenylmethylene)pentanamide With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; triethylamine In neat (no solvent) at 75℃; for 16h; Inert atmosphere;
Stage #2: With isopropyl alcohol at 25℃; for 4h; Inert atmosphere;		85%
With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; triethylamine In ethanol Addition; Heating;
at 20℃; for 10h; Inert atmosphere;33 g
With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; triethylamine Stetter 1,4-Dicarbonyl Synthesis; Reflux;
2-bromo-4-methyl-3-oxo-pentanoic acid phenylamide
807361-46-2

2-bromo-4-methyl-3-oxo-pentanoic acid phenylamide

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

1-(4-fluorophenyl)-2-phenylethanone

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

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

Conditions
ConditionsYield
Stage #1: With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -25 - -10℃; for 0.5h;
Stage #2: 1-(4-fluorophenyl)-2-phenylethanone In tetrahydrofuran; hexane at -78 - -60℃; for 1h;
Stage #3: 2-bromo-4-methyl-3-oxo-pentanoic acid phenylamide In tetrahydrofuran; hexane at -78 - 15℃; for 1.5h;		85%
Stage #1: 1-(4-fluorophenyl)-2-phenylethanone With sodium carbonate In N,N-dimethyl-formamide for 0.25h;
Stage #2: 2-bromo-4-methyl-3-oxo-pentanoic acid phenylamide In N,N-dimethyl-formamide at 90℃; for 23h; Product distribution / selectivity;
Stage #1: 1-(4-fluorophenyl)-2-phenylethanone With sodium carbonate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 0.5h;
Stage #2: 2-bromo-4-methyl-3-oxo-pentanoic acid phenylamide In N,N-dimethyl-formamide at 20 - 95℃; for 29.17h; Product distribution / selectivity;
2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one
88675-31-4

2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one

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

4-methyl-3-oxo-N-phenylpentanamide

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

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

Conditions
ConditionsYield
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%
2-[2,2-bis-ethylsulphanyl-2-(4-fluoro-phenyl)-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic acid phenylamide

2-[2,2-bis-ethylsulphanyl-2-(4-fluoro-phenyl)-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic acid phenylamide

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

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

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; water; mercury(II) oxide In tetrahydrofuran for 0.5h;49%
2-{[2-(4-fluoro-phenyl)-[1,3]dithian-2-yl]-phenyl-methyl}-4-methyl-3-oxo-pentanoic acid phenylamide

2-{[2-(4-fluoro-phenyl)-[1,3]dithian-2-yl]-phenyl-methyl}-4-methyl-3-oxo-pentanoic acid phenylamide

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

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

Conditions
ConditionsYield
With water; copper(II) oxide; copper dichloride In acetone for 1h; Heating / reflux;54%
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide
54016-70-5

3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide

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

4-Methyl-3-oxo-N-phenyl-2(phenylmethylene)pentanamide

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

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

Conditions
ConditionsYield
With triethylamine In ethanol; isopropyl alcohol
With triethylamine In ethanol; isopropyl alcohol
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide
54016-70-5

3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide

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

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

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

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

Conditions
ConditionsYield
With triethylamine In ethanol; isopropyl alcohol
4-methyl-3-oxo-N-phenyl-2-(phenylmethylene) pentanamide
222320-17-4

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

4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide
54016-70-5

3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide

A

(+-)4-fluoro-α-[2-methyl-1-oxopropyl]-γ-oxo-N,β-diphenybenzenebutaneamide

(+-)4-fluoro-α-[2-methyl-1-oxopropyl]-γ-oxo-N,β-diphenybenzenebutaneamide

B

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

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

Conditions
ConditionsYield
With triethylamine In ethanol
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

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

4-Methyl-3-oxo-N-phenyl-2(phenylmethylene)pentanamide

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

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

Conditions
ConditionsYield
With triethylamine at 65 - 70℃;84%
4-methyl-3-oxo-N-phenylpentanamide
124401-38-3

4-methyl-3-oxo-N-phenylpentanamide

A

3-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethoxy]-4-methyl-pent-2-enoic acid phenylamide
1198087-00-1

3-[2-(4-fluorophenyl)-2-oxo-1-phenyl-ethoxy]-4-methyl-pent-2-enoic acid phenylamide

B

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

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

Conditions
ConditionsYield
With potassium carbonate In acetone at 10 - 45℃; Product distribution / selectivity;A 14.7 %Chromat.
B n/a
Methyl 4-methyl-3-oxopentanoate
42558-54-3

Methyl 4-methyl-3-oxopentanoate

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

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / 80 - 125 °C
2: potassium carbonate / acetone / 18.5 - 26 °C
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide / neat (no solvent) / 12 h / 135 °C
2.1: acetic acid; 4-amino-phenol / hexane / 24 h / Reflux
3.1: triethylamine; 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide / neat (no solvent) / 16 h / 75 °C / Inert atmosphere
3.2: 4 h / 25 °C / Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1: ethylenediamine / 5,5-dimethyl-1,3-cyclohexadiene / 4 h / 140 - 150 °C / Inert atmosphere
2: glycine; acetic acid / n-heptane / 8 h / Inert atmosphere; Reflux
3: 10 h / 20 °C / Inert atmosphere
View Scheme
aniline
62-53-3

aniline

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

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / 80 - 125 °C
2: potassium carbonate / acetone / 18.5 - 26 °C
View Scheme
Multi-step reaction with 2 steps
1: triethylamine / 80 - 125 °C
2: potassium carbonate / acetone / 25 - 60 °C / Reflux
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide / neat (no solvent) / 12 h / 135 °C
2.1: acetic acid; 4-amino-phenol / hexane / 24 h / Reflux
3.1: triethylamine; 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide / neat (no solvent) / 16 h / 75 °C / Inert atmosphere
3.2: 4 h / 25 °C / Inert atmosphere
View Scheme
phenylacetyl chloride
103-80-0

phenylacetyl chloride

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

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: aluminum (III) chloride / -10 - 0 °C / Inert atmosphere
2: sulfuryl dichloride / dichloromethane / 10 - 20 °C
3: potassium carbonate / acetone / 25 - 60 °C / Reflux
View Scheme
Multi-step reaction with 3 steps
1: aluminum (III) chloride / -10 - 0 °C / Inert atmosphere
2: bromine; hydrogen bromide; acetic acid / dichloromethane / 26 °C
3: potassium carbonate / acetone / 18.5 - 26 °C
View Scheme
Multi-step reaction with 3 steps
1.1: aluminum (III) chloride / 1 h / 10 °C
2.1: hydrogen bromide / water / 0.08 h / 20 °C / Darkness
2.2: 5 h / 20 °C
2.3: 12 h / 20 °C
3.1: potassium carbonate / acetone / 5 h / 20 °C / Darkness
View Scheme
Multi-step reaction with 3 steps
1: zeolite / dichloromethane / 2 h / 10 °C / Cooling with ice; Molecular sieve
2: hydrogen bromide; dihydrogen peroxide; acetic acid / 16 h / 40 °C
3: potassium carbonate / acetone / 2 h / Reflux
View Scheme
1-(4-fluorophenyl)-2-phenylethanone
347-84-2

1-(4-fluorophenyl)-2-phenylethanone

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

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sulfuryl dichloride / dichloromethane / 10 - 20 °C
2: potassium carbonate / acetone / 25 - 60 °C / Reflux
View Scheme
Multi-step reaction with 2 steps
1: bromine; hydrogen bromide; acetic acid / dichloromethane / 26 °C
2: potassium carbonate / acetone / 18.5 - 26 °C
View Scheme
Multi-step reaction with 2 steps
1: hydrogen bromide; dihydrogen peroxide; acetic acid / 16 h / 40 °C
2: potassium carbonate / acetone / 2 h / Reflux
View Scheme
benzaldehyde
100-52-7

benzaldehyde

HI, I2

HI, I2

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

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

Conditions
ConditionsYield
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
aniline
62-53-3

aniline

Wang resin-bound styrene 4

Wang resin-bound styrene 4

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

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 96 percent / toluene / Heating
2: β-alanine; glacial acetic acid / hexane / Heating
3: 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide; triethylamine / ethanol / Heating
View Scheme
isobutyryl Meldrum's acid

isobutyryl Meldrum's acid

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

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 96 percent / toluene / Heating
2: β-alanine; glacial acetic acid / hexane / Heating
3: 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide; triethylamine / ethanol / Heating
View Scheme
fluorobenzene
462-06-6

fluorobenzene

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

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: aluminum (III) chloride / -10 - 0 °C / Inert atmosphere
2: sulfuryl dichloride / dichloromethane / 10 - 20 °C
3: potassium carbonate / acetone / 25 - 60 °C / Reflux
View Scheme
Multi-step reaction with 3 steps
1: aluminum (III) chloride / -10 - 0 °C / Inert atmosphere
2: bromine; hydrogen bromide; acetic acid / dichloromethane / 26 °C
3: potassium carbonate / acetone / 18.5 - 26 °C
View Scheme
4-fluorobenzaldehyde
459-57-4

4-fluorobenzaldehyde

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

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

A

B

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

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

Conditions
ConditionsYield
With triethylamine; ethyl thiazolium catalyst or with methyl thiazolium catalyst; 1) EtOH; Yield given. Multistep reaction;
fluorobenzene

fluorobenzene

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

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: aluminum (III) chloride / 1 h / 10 °C
2.1: hydrogen bromide / water / 0.08 h / 20 °C / Darkness
2.2: 5 h / 20 °C
2.3: 12 h / 20 °C
3.1: potassium carbonate / acetone / 5 h / 20 °C / Darkness
View Scheme
phenylacetic acid
103-82-2

phenylacetic acid

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

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

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / chloroform / Reflux
2: zeolite / dichloromethane / 2 h / 10 °C / Cooling with ice; Molecular sieve
3: hydrogen bromide; dihydrogen peroxide; acetic acid / 16 h / 40 °C
4: potassium carbonate / acetone / 2 h / Reflux
View Scheme
3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

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

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

Conditions
ConditionsYield
Multi-step reaction with 4 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
3: glycine; acetic acid / n-heptane / 8 h / Inert atmosphere; Reflux
4: 10 h / 20 °C / Inert atmosphere
View Scheme
aniline
62-53-3

aniline

phenylpropyolic acid
637-44-5

phenylpropyolic acid

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

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 16 h / 0 - 30 °C / Large scale
2: copper(II) hexafluoroantimonate; C32H44Cl2N4O6Pd / tetrahydrofuran / 24 h / 50 - 60 °C / Inert atmosphere
View Scheme

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