Product Name

  • Name

    Ethyl 2-oxo-4-phenylbutyrate

  • EINECS 265-276-9
  • CAS No. 64920-29-2
  • Article Data33
  • CAS DataBase
  • Density 1.091 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H14O3
  • Boiling Point 309 °C at 760 mmHg
  • Molecular Weight 206.241
  • Flash Point 140 °C
  • Transport Information
  • Appearance Pale yellow or yellow liquid
  • Safety 23-24/25-36/37-26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 64920-29-2 (Ethyl 2-oxo-4-phenylbutyrate)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Oxo-4-phenylbutanoicacid ethyl ester;2-Oxo-4-phenylbutyric acid ethyl ester;4-Phenyl-2-oxobutyricacid ethyl ester;Ethyl 2-oxo-4-phenylbutanoate;Ethyl 3-benzylpyruvate;Ethyl 4-phenyl-2-ketobutyrate;Ethyl4-phenyl-2-oxobutanoate;Ethyl benzylpyruvate;
  • PSA 43.37000
  • LogP 1.75140

Synthetic route

ethyl 2-hydroxy-4-phenylbutanoate
93921-85-8

ethyl 2-hydroxy-4-phenylbutanoate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; calcium methylate In acetonitrile at 0 - 20℃;99%
With 4-hydroxy-TEMPO benzoate; sodium acetate In dichloromethane98%
With hydrogenchloride; sodium hypobromide In dichloromethane; water at 25℃; for 5h;94%
(Z)-ethyl 2-oxo-4-phenyl-3-butenoate
55674-14-1

(Z)-ethyl 2-oxo-4-phenyl-3-butenoate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
98%
(4-Ethoxybut-3-enyl)benzene

(4-Ethoxybut-3-enyl)benzene

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With potassium permanganate; sodium hydrogencarbonate; magnesium sulfate In water; acetone at 23℃; for 0.0833333h;93%
D-homophenylalanine
943-73-7

D-homophenylalanine

ethyl acetate
141-78-6

ethyl acetate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With hydrogenchloride; sodium hypochlorite; tetrabutylammomium bromide In water at 0 - 40℃; Product distribution / selectivity;84.1%
(E)-ethyl-2-oxo-4-phenylbut-3-enoate
17451-20-6, 55674-14-1, 55629-96-4

(E)-ethyl-2-oxo-4-phenylbut-3-enoate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With 1-propyl-1,4-dihydronicotinamide; magnesium(II) perchlorate In acetonitrile Ambient temperature;82%
ethanol
64-17-5

ethanol

1-nitro-4-phenylbutan-2-one
67333-73-7

1-nitro-4-phenylbutan-2-one

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With 1-[4-(diacetoxyiodo)benzyl]-3-methylimidazolium tetrafluoroborate for 1h; Reflux;80%
1-phenyl-2-bromoethane
103-63-9

1-phenyl-2-bromoethane

oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Stage #1: 1-phenyl-2-bromoethane With magnesium In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;
Stage #2: oxalic acid diethyl ester In tetrahydrofuran at -78℃; for 2h; Inert atmosphere;		79%
Stage #1: 1-phenyl-2-bromoethane With magnesium In tetrahydrofuran for 1h; Reflux; Inert atmosphere;
Stage #2: oxalic acid diethyl ester In tetrahydrofuran at -10℃; for 1.5h; Inert atmosphere;
Stage #3: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere;		60%
Stage #1: 1-phenyl-2-bromoethane With iodine; magnesium In tetrahydrofuran for 1h; Reflux;
Stage #2: oxalic acid diethyl ester In tetrahydrofuran at -78 - 0℃; for 1h;		50%
phenethylmagnesium bromide
3277-89-2

phenethylmagnesium bromide

ethyl 3,5-dimethyl-1-pyrazolylglyoxylate
220332-87-6

ethyl 3,5-dimethyl-1-pyrazolylglyoxylate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In diethyl ether at -90℃; for 1h;76%
ethanol
64-17-5

ethanol

3-oxo-5-phenyl-pentanenitrile
70102-85-1

3-oxo-5-phenyl-pentanenitrile

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene In dichloromethane for 2h; Reflux;57%
phenethylmagnesium bromide
3277-89-2

phenethylmagnesium bromide

oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In tetrahydrofuran at -10℃; for 1h;55%
In diethyl ether at -10℃; for 2h;
2,2-Bis-ethylsulfanyl-4-phenyl-butyric acid ethyl ester
70187-08-5

2,2-Bis-ethylsulfanyl-4-phenyl-butyric acid ethyl ester

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With water; calcium carbonate; mercury dichloride
ethanol
64-17-5

ethanol

dihydrocinnamonitrile
645-59-0

dihydrocinnamonitrile

methyl methylsulfinylmethyl sulfide
33577-16-1

methyl methylsulfinylmethyl sulfide

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
(i) NaH, (ii) /BRN= 1718733/, CuCl2, CuO; Multistep reaction;
...Expand
2-oxo-4-phenylbutyric acid
710-11-2

2-oxo-4-phenylbutyric acid

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In ethanol; sulfuric acid for 5h; Heating; Yield given;
ethyl L-2-amino-4-phenylbutyrate
46460-23-5, 46460-24-6, 82830-84-0, 124044-66-2

ethyl L-2-amino-4-phenylbutyrate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With tert.-butylnitrite; 3-chloro-benzenecarboperoxoic acid; isopentyl nitrite 1.) chloroform, 2.) 30 min; Yield given. Multistep reaction;
With sodium hypochlorite Product distribution / selectivity;
C8H9BrCd
91923-61-4

C8H9BrCd

ethyl cyanoformate
623-49-4

ethyl cyanoformate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With zinc(II) chloride 1.) ether, room temperature, 24 h, 2.) ether, 0 deg C, 3 h; Yield given. Multistep reaction;
phenethylmagnesium chloride
90878-19-6

phenethylmagnesium chloride

oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In diethyl ether Grignard reaction;
2-oxo-propionic acid ethyl ester
617-35-6

2-oxo-propionic acid ethyl ester

benzyl(pyridine)cobaloxime

benzyl(pyridine)cobaloxime

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In dichloromethane at 35℃; for 144h;
2-hydroxy-4-phenylbutanoic acid
4263-93-8

2-hydroxy-4-phenylbutanoic acid

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 93 percent / SOCl2 / 10 h / Ambient temperature
2: 87 percent Chromat. / CrO3-pyridine / CH2Cl2 / 2.5 h / other reagents: K3Cl>, CrO3/Al2O3
View Scheme
benzaldehyde
100-52-7

benzaldehyde

C-phenyl-C-<2-methoxy-naphthyl-(1)>-methylamine

C-phenyl-C-<2-methoxy-naphthyl-(1)>-methylamine

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 78 percent Chromat. / NaOH / temp. <=10 deg C
2: 77 percent / hydrogen / Ni-Raney / ethanol; H2O / 4 h / Ambient temperature; other catalyst: Ni on Kieselguhr
3: 93 percent / SOCl2 / 10 h / Ambient temperature
4: 87 percent Chromat. / CrO3-pyridine / CH2Cl2 / 2.5 h / other reagents: K3Cl>, CrO3/Al2O3
View Scheme
benzylidenepyruvic acid sodium salt

benzylidenepyruvic acid sodium salt

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 77 percent / hydrogen / Ni-Raney / ethanol; H2O / 4 h / Ambient temperature; other catalyst: Ni on Kieselguhr
2: 93 percent / SOCl2 / 10 h / Ambient temperature
3: 87 percent Chromat. / CrO3-pyridine / CH2Cl2 / 2.5 h / other reagents: K3Cl>, CrO3/Al2O3
View Scheme
ethyl dihydrocinnamate
2021-28-5

ethyl dihydrocinnamate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1) NaOMe; 2) 15 percent H2SO4 / 1) MeOH, 60-70 deg C, 1.5 h; 2) reflux 15 h
2: ethanol; H2SO4 / 5 h / Heating
View Scheme
ethyl Bromopyruvate
70-23-5

ethyl Bromopyruvate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 85 percent / HCO3(1-)
2: 41 percent / xylene
3: 82 percent / 1-n-propyl-1,4-dihydronicotinamide (PNAH, 4) / Mg(ClO4)2 / acetonitrile / Ambient temperature
View Scheme
ethyl 2-oxo-3-(triphenylphosphoranylidene)propanoate
13321-61-4

ethyl 2-oxo-3-(triphenylphosphoranylidene)propanoate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 41 percent / xylene
2: 82 percent / 1-n-propyl-1,4-dihydronicotinamide (PNAH, 4) / Mg(ClO4)2 / acetonitrile / Ambient temperature
View Scheme
3-Phenyl-dithiopropionic acid ethyl ester

3-Phenyl-dithiopropionic acid ethyl ester

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: (i) THF, (ii) /BRN= 385653/
2: H2O, CaCO3, HgCl2
View Scheme
ethanol
64-17-5

ethanol

2-oxo-4-phenylbutyric acid
710-11-2

2-oxo-4-phenylbutyric acid

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With pyridine; methanesulfonyl chloride In tetrahydrofuran at 0 - 20℃;
oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

halo(2-phenylethyl)magnesium

halo(2-phenylethyl)magnesium

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
In tetrahydrofuran; diethyl ether at -78℃;
phenylacetaldehyde
122-78-1

phenylacetaldehyde

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere
1.2: 5.75 h / -78 - 20 °C / Inert atmosphere
2.1: acetic acid; cesium fluoride / acetonitrile / 5 h / 0 - 20 °C / Inert atmosphere
View Scheme
C18H28O3Si

C18H28O3Si

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

Conditions
ConditionsYield
With acetic acid; cesium fluoride In acetonitrile at 0 - 20℃; for 5h; Inert atmosphere;
diazo(trimethylsilyl)methyl magnesium bromide
883581-67-7

diazo(trimethylsilyl)methyl magnesium bromide

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

2-(diazo-trimethylsilanyl-methyl)-2-hydroxy-4-phenyl-butyric acid ethyl ester

2-(diazo-trimethylsilanyl-methyl)-2-hydroxy-4-phenyl-butyric acid ethyl ester

Conditions
ConditionsYield
In various solvents at -78℃; for 1.5h;100%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

ethyl 3-bromo-2-oxo-4-phenylbutanoate
292858-05-0

ethyl 3-bromo-2-oxo-4-phenylbutanoate

Conditions
ConditionsYield
With copper(ll) bromide In chloroform; ethyl acetate for 6h; Reflux;99%
With bromine In tetrachloromethane; chloroform97%
With bromine In tetrachloromethane; chloroform at 20℃; for 1h;95%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

formaldehyde N,N-tetramethylenehydrazone
60144-26-5

formaldehyde N,N-tetramethylenehydrazone

(E)-ethyl 2-hydroxy-4-phenyl-2-[(pyrrolidin-1-ylimino)methyl]butanoate
1330591-15-5

(E)-ethyl 2-hydroxy-4-phenyl-2-[(pyrrolidin-1-ylimino)methyl]butanoate

Conditions
ConditionsYield
Stage #1: 2-oxo-4-phenylbutanoic acid ethyl ester With 1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea In water at 20℃; for 0.25h;
Stage #2: formaldehyde N,N-tetramethylenehydrazone In water		99%
Benzyl N-hydroxycarbamate
3426-71-9

Benzyl N-hydroxycarbamate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

C20H19NO5

C20H19NO5

Conditions
ConditionsYield
With manganese(IV) oxide; 3-hydroxyquinuclidine In tetrahydrofuran at 20℃; for 5h; Catalytic behavior; Solvent; Reagent/catalyst; Inert atmosphere; Sealed tube;99%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

(I)-menthyloxycarbonylhydroxamic acid
52719-93-4

(I)-menthyloxycarbonylhydroxamic acid

C23H31NO5

C23H31NO5

Conditions
ConditionsYield
With manganese(IV) oxide; 3-hydroxyquinuclidine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere; Sealed tube;99%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

C8H8BrNO3

C8H8BrNO3

C20H18BrNO5

C20H18BrNO5

Conditions
ConditionsYield
With manganese(IV) oxide; 3-hydroxyquinuclidine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere; Sealed tube;95%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

ethyl 2-hydroxy-4-phenylbutanoate

ethyl 2-hydroxy-4-phenylbutanoate

Conditions
ConditionsYield
With hydrogen; Cinchonin In acetic acid at 25℃; under 7500.75 Torr; for 12h; enantioselective reaction;94.4%
bis-(dimethylamino)methane
51-80-9

bis-(dimethylamino)methane

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

ethyl 3-methylene-2-oxo-4-phenylbutanoate

ethyl 3-methylene-2-oxo-4-phenylbutanoate

Conditions
ConditionsYield
With acetic anhydride In ethyl acetate; N,N-dimethyl-formamide93%
cinnamic acid N-hydroxylamide
3669-32-7

cinnamic acid N-hydroxylamide

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

C21H19NO4

C21H19NO4

Conditions
ConditionsYield
With manganese(IV) oxide; 3-hydroxyquinuclidine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere; Sealed tube;93%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

ethyl (R)-2-hydroxy-4-phenylbutyrate
90315-82-5

ethyl (R)-2-hydroxy-4-phenylbutyrate

Conditions
ConditionsYield
With D-glucose at 30℃; for 12h; pH=7.0; aq. phosphate buffer; optical yield given as %ee; enantioselective reaction;92%
With D-glucose In phosphate buffer at 30℃; for 26h; pH=7;91%
With glucose dehydrogenase; D-glucose; recombinant reductase CgKR2 from Candida glabrata; NADP; sodium carbonate at 30℃; for 5h; pH=6; Kinetics; Reagent/catalyst; Solvent; Temperature; Time; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; enantioselective reaction;91%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

C15H15NO4

C15H15NO4

C27H25NO6

C27H25NO6

Conditions
ConditionsYield
With manganese(IV) oxide; 3-hydroxyquinuclidine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere; Sealed tube;92%
(furan-2-yloxy)-trimethylsilane
61550-02-5

(furan-2-yloxy)-trimethylsilane

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

(R,R)-ethyl 2-hydroxy-2-(5-oxo-2,5-dihydrofuran-2-yl)-4-phenylbutanoate
1140920-60-0

(R,R)-ethyl 2-hydroxy-2-(5-oxo-2,5-dihydrofuran-2-yl)-4-phenylbutanoate

Conditions
ConditionsYield
With 3,3,3-Trifluoropropanol; copper(II) bis(trifluoromethanesulfonate); (S)-N-[2-(2,4,6-triisopropylbenzylamino)phenyl]-S-methyl-S-phenylsulfoximine In diethyl ether at 20℃; Mukaiyama aldol reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;91%
With 2,2,2-trifluoroethanol; copper(II) bis(trifluoromethanesulfonate); (S)-N-[2-(2,4,6-triisopropylbenzylamino)phenyl]-S-methyl-S-phenylsulfoximine In diethyl ether at 20℃; Vinylogous Mukaiyama-type aldol reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;91%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

4-phenylbutane-1,2-diol
124888-60-4, 124988-64-3, 143615-31-0, 1199-97-9

4-phenylbutane-1,2-diol

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 20℃; for 0.166667h;91%
Stage #1: 2-oxo-4-phenylbutanoic acid ethyl ester With sodium tetrahydroborate In methanol Inert atmosphere;
Stage #2: With hydrogenchloride In water Inert atmosphere;		72%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

(S)-2-benzyloxy-3-pentanone
132489-33-9

(S)-2-benzyloxy-3-pentanone

(3R,4S,5S)-ethyl 5-benzyloxy-2-hydroxy-3-methyl-2(2-phenylethyl)-4-oxohexanoate
1520094-30-7

(3R,4S,5S)-ethyl 5-benzyloxy-2-hydroxy-3-methyl-2(2-phenylethyl)-4-oxohexanoate

Conditions
ConditionsYield
Stage #1: (S)-2-benzyloxy-3-pentanone With titanium tetrachloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -78℃; for 0.666667h; Inert atmosphere;
Stage #2: 2-oxo-4-phenylbutanoic acid ethyl ester In dichloromethane at -20℃; for 3h; Inert atmosphere; diastereoselective reaction;		91%
tert-Butyl N-hydroxycarbamate
36016-38-3

tert-Butyl N-hydroxycarbamate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

C17H21NO5

C17H21NO5

Conditions
ConditionsYield
With manganese(IV) oxide; 3-hydroxyquinuclidine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere; Sealed tube;91%
nitromethane
75-52-5

nitromethane

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

ethyl 2-hydroxy-2-(nitromethyl)-4-phenylbutanoate

ethyl 2-hydroxy-2-(nitromethyl)-4-phenylbutanoate

Conditions
ConditionsYield
With rac-1',2',3',4'-tetrahydro-1,1'-bisisoquinoline In tetrahydrofuran at 20℃; for 24h; Henry Nitro Aldol Condensation;90%
With copper(II) bis(trifluoromethanesulfonate); 2,2'-isopropylidenebis[(4S)-4-tert-butyl-2-oxazoline]; triethylamine at 50℃;
isoniazid
54-85-3

isoniazid

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

ethyl 2-oxo-4-phenylbutyrate isonicotinoylhydrazone
433719-25-6

ethyl 2-oxo-4-phenylbutyrate isonicotinoylhydrazone

Conditions
ConditionsYield
In ethanol Reflux;90%
dibenzyl azodicarboxylate
2449-05-0

dibenzyl azodicarboxylate

2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

C28H30N2O7

C28H30N2O7

Conditions
ConditionsYield
Stage #1: dibenzyl azodicarboxylate; 2-oxo-4-phenylbutanoic acid ethyl ester With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(piperidin-1-yl)cyclohexyl)thiourea In 1,3,5-trimethyl-benzene at -5℃; for 11h; Molecular sieve;
Stage #2: With L-Selectride In 1,3,5-trimethyl-benzene at -30℃; for 2h; Molecular sieve; enantioselective reaction;		90%
2-oxo-4-phenylbutanoic acid ethyl ester
64920-29-2

2-oxo-4-phenylbutanoic acid ethyl ester

C8H8ClNO3

C8H8ClNO3

C20H18ClNO5

C20H18ClNO5

Conditions
ConditionsYield
With manganese(IV) oxide; 3-hydroxyquinuclidine In tetrahydrofuran at 20℃; for 5h; Inert atmosphere; Sealed tube;90%

Ethyl 2-oxo-4-phenylbutyrate Chemical Properties

Following is the structure of Ethyl 2-oxo-phenylbutrate (CAS NO.64920-29-2):
                        

IUPAC Name: Ethyl 2-oxo-4-phenylbutanoate 
Molecular Formula: C12H14O3
Molecular Weight: 206.237760 g/mol
Appearance: yellow liquid
BRN: 2725083
EINECS: 265-276-9
Index of Refraction: 1.506
Molar Refractivity: 56.13 cm3
Molar Volume: 188.8 cm3
Density: 1.091 g/cm3
Flash Point: 140 °C
Surface Tension: 39.2 dyne/cm
Enthalpy of Vaporization: 54.97 kJ/mol
Boiling Point: 309 °C at 760 mmHg
Vapour Pressure: 0.000657 mmHg at 25 °C
Product Categories: Intermediates of Sertraline; Pharmaceutical Intermediates; Aromatics; (intermediate of lisinopril ); C12 to C63; Carbonyl Compounds; Esters
SMILES: O=C(OCC)C(=O)CCc1ccccc1
InChI: InChI=1/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey: STPXIOGYOLJXMZ-UHFFFAOYAY

Ethyl 2-oxo-4-phenylbutyrate Uses

 Ethyl 2-oxo-phenylbutrate with cas registry number of 64920-29-2 is used as an intermediate in organic synthesis and pharmaceutical.

Ethyl 2-oxo-4-phenylbutyrate Safety Profile

Safety Information of Ethyl 2-oxo-phenylbutrate (CAS NO. 64920-29-2):
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:23-24/25-36/37-26
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:3

Ethyl 2-oxo-4-phenylbutyrate Specification

 Ethyl 2-oxo-phenylbutrate , its cas register number 64920-29-2. It also can be called Benzenebutanoic acid, .alpha.-oxo-, ethyl ester ; and Benzenebutanoic acid, alpha-oxo-, ethyl ester .

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