42558-54-3

Basic information

• Product Name: Methyl isobutyrylacetate
• Synonyms: Methyl isobutyrylacetate ,98%;Methyl 4-methyl-3-ox;-2,2-diMethyl-1,3-dioxane-4-Acetate;Isobutyrylacetic Acid Methyl Ester Methyl 4-Methyl-3-oxovalerate 4-Methyl-3-oxovaleric Acid Methyl Ester;METHYL ISOBUTYRYLACETATE FOR SYNTHESIS;Methyl 4-Methyl-3-oxovalerate (IBEM);Methyl 4-Methyl-3-oxopentanoate, 97+%;Butyl acyl Methyl acetate
• CAS NO: 42558-54-3
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.17
• EINECS: 418-900-0
• Product Categories: ester series
• Mol File: 42558-54-3.mol
• Article Data: 22

Chemical Properties

• Melting Point: -75°C
• Boiling Point: 55-57 °C15 hPa(lit.)
• Flash Point: 79°C
• Appearance: colorless to yellowish liquid
• Density: 1.013 g/mL at 20 °C(lit.)
• Vapor Pressure: 1.161mmHg at 25°C
• Refractive Index: 1.4265
• Storage Temp.: Store below +30°C.
• Solubility: 43.6g/l
• PKA: 10.59±0.46(Predicted)
• Explosive Limit: 1.29%(V)
• Water Solubility: 43.6g/L at 20℃
• BRN: 1857823
• CAS DataBase Reference: Methyl isobutyrylacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl isobutyrylacetate(42558-54-3)
• EPA Substance Registry System: Methyl isobutyrylacetate(42558-54-3)

Safety Data

• Statements: 36/38
• Safety Statements: 26-36-24/25
• WGK Germany: 1
• Hazardous Substances Data: 42558-54-3(Hazardous Substances Data)

Usage

Chemical Properties

colorless to yellowish liquid

Uses

Different sources of media describe the Uses of 42558-54-3 differently. You can refer to the following data:
1. Methyl isobutyrylacetate is used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet
2. Isobutanoyl Methyl Acetate is a starting material in the synthesis of 3-Hydroxy-4-methylpentanoic Acid (H947700), which is isolated from Turkish tobacco leaves. It can be used to prepare 1,3-Polyol arrays via stereoselective rearrangement.

Flammability and Explosibility

Notclassified

InChI:InChI=1/C7H12O3/c1-4-6(8)10-7(9)5(2)3/h5H,4H2,1-3H3

Synthetic route

3-methyl-butan-2-one (563-80-4) + carbonic acid dimethyl ester (616-38-6) → 2,5,6-trimethylhept-4-en-3-one (16466-21-0) + 2,5,6-trimethylhept-5-en-3-one (101459-87-4) + Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
Stage #1: 3-methyl-butan-2-one With sodium hydride In 1,4-dioxane; mineral oil at 20℃; for 0.166667h; Stage #2: carbonic acid dimethyl ester In 1,4-dioxane; mineral oil at 50℃; for 3h; Reagent/catalyst; Solvent; Temperature; Time;	A n/a B n/a C 88%

methyl diazoacetate (6832-16-2) + isobutyraldehyde (78-84-2) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
yttria-stabilized zirconia In 1,2-dichloro-ethane for 10h; Heating;	85%
With Cu(II)-Mont K 10 clay In benzene at 80℃; for 3h; Condensation;	62%

3-methyl-butan-2-one (563-80-4) + carbonic acid dimethyl ester (616-38-6) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
Stage #1: 3-methyl-butan-2-one With sodium hydride In tetrahydrofuran for 0.333333h; Stage #2: carbonic acid dimethyl ester In tetrahydrofuran at 30℃; Further stages.;	85%
Stage #1: 3-methyl-butan-2-one; carbonic acid dimethyl ester With sodium hydride In toluene at 80℃; for 5h; Stage #2: With water; acetic acid In toluene	62.72%
Stage #1: carbonic acid dimethyl ester With sodium hydride In toluene Reflux; Inert atmosphere; Stage #2: 3-methyl-butan-2-one In toluene Reflux; Inert atmosphere;

methanol (67-56-1) + cycl-isopropylidene malonate (2033-24-1) + isobutyryl chloride (79-30-1) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
Stage #1: cycl-isopropylidene malonate; isobutyryl chloride With pyridine In dichloromethane at 20℃; for 2h; Stage #2: methanol In dichloromethane for 2h; Further stages.;	75%

methyl 4-methyl-2-pentenoate (50652-78-3) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
With tert.-butylhydroperoxide; sodium tetrachloropalladate(II) In acetic acid; tert-butyl alcohol at 50℃; for 3h;	64%
With methanol; water; oxygen; toluene-4-sulfonic acid; palladium dichloride In N,N-dimethyl acetamide at 80℃; under 4560.31 Torr; for 10h; Autoclave; regioselective reaction;	68 %Chromat.

3-methyl-butan-2-one (563-80-4) + sodium methylate (124-41-4) + Diethyl carbonate (105-58-8) → Methyl 4-methyl-3-oxopentanoate (42558-54-3) + ethyl 4-methyl-3-oxo-pentanoate (7152-15-0)

diazomethane (186581-53-3, 908094-01-9) + (1R,3aS,8aS)-7-isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazulene (36577-33-0) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
(i) O3, AcOEt, (ii) aq. H2O2, KHCO3, (iii) /BRN= 102415/, Et2O; Multistep reaction;

ethyl 2-acetyl-4-methyl-3-oxopentanoate (79322-87-5) + sodium methylate (124-41-4) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
In methanol

diazomethane (186581-53-3, 908094-01-9) + isobutyrylacetic acid (5650-76-0) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
In diethyl ether Yield given;

methanol (67-56-1) + 5-(1-hydroxy-2-methylpropylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (84794-38-7) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
for 4h; Heating; Yield given;

methanol (67-56-1) + 2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxane-4,6-dione (74965-86-9) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
for 4h; Heating;

3-methyl-butan-2-one (563-80-4) → Methyl 4-methyl-3-oxopentanoate (42558-54-3)

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethylformamide / 6 h / 110 °C 2: diethyl ether View Scheme
Multi-step reaction with 2 steps 1: dimethylformamide / 3 h / 110 °C 2: diethyl ether View Scheme

Methyl 4-methyl-3-oxopentanoate (42558-54-3) → methyl (S)-3-hydroxy-4-methylvalerate

Conditions	Yield
With cat; hydrogen In methanol; dichloromethane at 25℃; under 77572.2 Torr; for 48h;	100%
With hydrogen In methanol at 50℃; under 31029.7 Torr; for 24h; optical yield given as %ee; enantioselective reaction;	99%
With C50H46Cl2N2O2P2Ru; hydrogen In methanol at 50℃; under 30003 Torr; for 24h; Catalytic behavior; Reagent/catalyst; Autoclave; enantioselective reaction;	97.8%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-fluorobenzaldehyde (459-57-4) → 2-[(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoic acid methyl ester

Conditions	Yield
With piperidine; acetic acid In hexane at 20℃; for 12 - 16h; Heating / reflux;	100%

trifluoromethylsulfonic anhydride (358-23-6) + Methyl 4-methyl-3-oxopentanoate (42558-54-3) → C8H11F3O5S

Conditions	Yield
With lithium hydroxide In water at 0℃; for 0.3h;	100%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-methoxycarbonyl aniline (619-45-4) → methyl 4-(4-methyl-3-oxopentanamido)benzoate (936847-59-5)

Conditions	Yield
With ethylenediamine In toluene for 20 - 25h; Heating / reflux;	99.45%
In toluene for 24h; Reflux; Dean-Stark;	85%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) → (R)-3-Hydroxy-3-methylpentansaeure-methylester (76835-65-9)

Conditions	Yield
With hydrogen; (S)-BinapRuBr2 In methanol at 60℃; under 760.051 Torr; for 18h; Noyori reduction;	99%
With RuBr2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl}; hydrogen In methanol at 60℃; under 760.051 Torr;	94%
With hydrogen In methanol at 80℃; under 15001.5 Torr; for 10h; enantioselective reaction;	91.9%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-acetamidobenzenesulfonyl azide (2158-14-7) → methyl 2-diazo-4-methyl-3-oxopentanoate (402568-04-1)

Conditions	Yield
With triethylamine In acetonitrile at 20℃; for 16h;	99%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-fluorobenzaldehyde (459-57-4) + urea (57-13-6) → methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions	Yield
With sulfuric acid In methanol at 65℃; for 48h; Reagent/catalyst;	98%
With sulfuric acid; copper(l) chloride In methanol at 78℃; for 9h;	94.5%
With sulfuric acid; copper(l) chloride In methanol at 80℃; for 24h; Biginelli Pyrimidone Synthesis; Inert atmosphere;	86%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) → 3-isopropylisoxazol-5(4H)-one (29068-23-3)

Conditions	Yield
Stage #1: Methyl 4-methyl-3-oxopentanoate With hydroxylamine hydrochloride; sodium acetate In ethanol Reflux; Stage #2: With hydrogenchloride In ethanol; water Reflux;	98%
With hydroxylamine hydrochloride; sodium acetate In ethanol at 78℃;	78%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + formamidine (463-52-5) → 6-(difluoromethyl)pyrimidin-4-ol

Conditions	Yield
With sodium methylate In methanol at 20℃; for 18h;	98%

nitrostyrene (5153-67-3) + Methyl 4-methyl-3-oxopentanoate (42558-54-3) → methyl 4-methyl-2-(2-nitro-1-phenylethyl)-3-oxopentanoate

Conditions	Yield
[(S,S)-N-(pentamethylbenzenesulfonyl)-1,2-diphenylethylenediamine] (hexamethylbenzene)ruthenium at -20℃; for 48h; Michael Condensation;	97%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → methyl-2-[(dimethylamino)methylidene]-4-methyl-3-oxopentanoate

Conditions	Yield
at 80℃; for 1h;	97%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + propionamidine hydrochloride (3599-89-1) → 2‐ethyl‐6‐isopropylpyrimidin‐4(3H)‐one (34127-00-9)

Conditions	Yield
With sodium methylate In methanol at 20℃; Inert atmosphere;	97%

oct-1-ene (111-66-0) + Methyl 4-methyl-3-oxopentanoate (42558-54-3) → methyl 2-isobutyryl-3-methylnonanoate

Conditions	Yield
With [Ir(cod)2]SbF6; 2,2'-bis(diphenylphosphino)biphenyl for 24h; Catalytic behavior; Reagent/catalyst; Reflux; diastereoselective reaction;	97%

4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic acid methyl amide (757251-39-1) + Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-chloro-3-trifluoromethyl-aniline (320-51-4) → regorafenib (755037-03-7)

Conditions	Yield
With dmap In N,N-dimethyl-formamide at 140℃; for 4h; Temperature; Green chemistry;	96.8%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + aniline (62-53-3) → 4-methyl-3-oxo-N-phenylpentanamide (124401-38-3)

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%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + thiourea (17356-08-0) + 3-(4-methylphenyl)acrylaldehyde (1504-75-2) → (S)-methyl 6-isopropyl-4-(4-methylstyryl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions

Yield

Stage #1: thiourea; 4-methyl cinnamaldehyde With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea; (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3 -carboxylic acid In dichloromethane at 20℃; for 3h; Biginelli Pyrimidone Synthesis; Stage #2: Methyl 4-methyl-3-oxopentanoate In dichloromethane at 50℃; for 15h; Biginelli Pyrimidone Synthesis; enantioselective reaction;

96%

4-methoxycinnamaldehyde (1963-36-6) + Methyl 4-methyl-3-oxopentanoate (42558-54-3) + thiourea (17356-08-0) → (S)-methyl 6-isopropyl-4-(4-methoxystyryl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions	Yield
Stage #1: 4-methoxycinnamaldehyde; thiourea With quinidine thiourea A; (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3 -carboxylic acid In dichloromethane at 20℃; for 3h; Biginelli Pyrimidone Synthesis; Sealed tube; Stage #2: Methyl 4-methyl-3-oxopentanoate In dichloromethane at 50℃; for 15h; Biginelli Pyrimidone Synthesis; Sealed tube; enantioselective reaction;	96%
Stage #1: 4-methoxycinnamaldehyde; thiourea With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea; (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3 -carboxylic acid In dichloromethane at 20℃; for 3h; Biginelli Pyrimidone Synthesis; Stage #2: Methyl 4-methyl-3-oxopentanoate In dichloromethane at 50℃; for 15h; Biginelli Pyrimidone Synthesis; enantioselective reaction;	96%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-fluorobenzaldehyde (459-57-4) → methyl 2-(4-fluorophenyl)methylidene-3-oxo-4-methylpentanoate (122549-26-2)

Conditions	Yield
With piperidine; acetic acid In isopropyl alcohol at 20℃; for 22h; Inert atmosphere;	95.4%
With piperidine; acetic acid In isopropyl alcohol at 25 - 35℃; for 20h; Knoevenagel Condensation;	86.11%
With piperidine; acetic acid In isopropyl alcohol at 30℃; for 0.5h; Temperature;	80%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + benzylamine (100-46-9) → methyl 5-isopropyl-2-phenyloxazole-4-carboxylate (1225057-22-6)

Conditions	Yield
With tert.-butylhydroperoxide; iodine In N,N-dimethyl-formamide at 80℃; for 6h;	95%
With tert.-butylhydroperoxide; iodine; copper(II) acetate monohydrate In N,N-dimethyl-formamide at 20℃;	91%
With tert-butyl hydroxyperoxide; tetra-(n-butyl)ammonium iodide In water; ethyl acetate at 40℃; for 8h;	69%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-nitrobenzaldehdye (555-16-8) + thiourea (17356-08-0) → (S)-4-(4-nitrophenyl)-6-isopropyl-5-methoxycarbonyl-1,2,3,4-tetrahydropyrimidine-2(1H)-thione

Conditions

Yield

Stage #1: 4-nitrobenzaldehdye; thiourea With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)thiourea; (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3 -carboxylic acid In toluene at 20℃; for 3h; Biginelli Pyrimidone Synthesis; Stage #2: Methyl 4-methyl-3-oxopentanoate In toluene at 50℃; for 15h; Biginelli Pyrimidone Synthesis; enantioselective reaction;

95%

5-Chloroisatoic anhydride (4743-17-3) + N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) + Methyl 4-methyl-3-oxopentanoate (42558-54-3) → C15H13ClF3NO5S

Conditions	Yield
Stage #1: 5-Chloroisatoic anhydride; Methyl 4-methyl-3-oxopentanoate With sodium hydride In N,N-dimethyl acetamide at 0 - 120℃; for 1h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide With sodium hydride In N,N-dimethyl-formamide at 20℃; for 2h;	95%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 2-Amino-5-chlorobenzophenone (719-59-5) → C20H18ClNO2

Conditions	Yield
With ZnCl2 supported on Fe3O4 (at) SiO2 nanocatalyst In neat (no solvent) at 60℃; for 4h;	95%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 2-amino-4'-fluorobenzophenone (3800-06-4) → methyl 4-(4-fluorophenyl)-2-(1-methylethyl)-3-quinolinecarboxylate (130954-89-1)

Conditions	Yield
With toluene-4-sulfonic acid for 0.00833333h; Friedlaender condensation; microwave irradiation;	94%
With toluene-4-sulfonic acid In toluene for 5h; Heating;	28%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + (E)-3-benbenzylidene-5-phenylpent-4-yn-2-one (771477-49-7) → C25H26O4 (1175095-87-0)

Conditions	Yield
With [Pd(dppp)(H2O)2](2+)*2(OTf)(1-) In 1,2-dichloro-ethane at 20℃; for 10h; tandem Michael addition-cyclization; optical yield given as %de; diastereoselective reaction;	94%

4-Trifluoromethylbenzaldehyde (455-19-6) + Methyl 4-methyl-3-oxopentanoate (42558-54-3) + thiourea (17356-08-0) → (S)-4-(4-trifluoromethylphenyl)-6-isopropyl-5-methoxycarbonyl-1,2,3,4-tetrahydropyrimidine-2(1H)-thione

Conditions

Yield

Stage #1: 4-Trifluoromethylbenzaldehyde; thiourea With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)thiourea; (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3 -carboxylic acid In toluene at 20℃; for 3h; Biginelli Pyrimidone Synthesis; Stage #2: Methyl 4-methyl-3-oxopentanoate In toluene at 50℃; for 15h; Biginelli Pyrimidone Synthesis; enantioselective reaction;

94%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-fluorobenzaldehyde (459-57-4) + malononitrile (109-77-3) → C17H17FN2O3 (954153-13-0)

Conditions	Yield
With piperidine In ethanol at 20 - 76℃; for 1h;	93%

4-acetyl-2-iodotrifluoroacetanilide + Methyl 4-methyl-3-oxopentanoate (42558-54-3) → 5-acetyl-2-trifluoromethyl-1H-indole-3-carboxylic acid methyl ester

Conditions	Yield
With copper(l) iodide; caesium carbonate; L-proline In dimethyl sulfoxide at 60℃; for 12h;	93%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + p-methoxyphenylisocyanide (10349-38-9) → C15H19NO4

Conditions	Yield
With silver carbonate In 1,4-dioxane at 80℃;	93%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-chlorobenzaldehyde (104-88-1) + thiourea (17356-08-0) → (S)-4-(4-chlorophenyl)-6-isopropyl-5-methoxycarbonyl-1,2,3,4-tetrahydropyrimidine-2(1H)-thione

Conditions

Yield

Stage #1: 4-chlorobenzaldehyde; thiourea With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)thiourea; (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3 -carboxylic acid In toluene at 20℃; for 3h; Biginelli Pyrimidone Synthesis; Stage #2: Methyl 4-methyl-3-oxopentanoate In toluene at 50℃; for 15h; Biginelli Pyrimidone Synthesis; enantioselective reaction;

93%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + 4-hydroxy-benzaldehyde (123-08-0) + thiourea (17356-08-0) → (S)-4-(4-hydroxyphenyl)-6-isopropyl-5-methoxycarbonyl-1,2,3,4-tetrahydropyrimidine-2(1H)-thione

Conditions

Yield

Stage #1: 4-hydroxy-benzaldehyde; thiourea With 1-(3,5-bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methyl)thiourea; (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3 -carboxylic acid In toluene at 20℃; for 3h; Biginelli Pyrimidone Synthesis; Stage #2: Methyl 4-methyl-3-oxopentanoate In toluene at 50℃; for 15h; Biginelli Pyrimidone Synthesis; enantioselective reaction;

93%

Upstream product

• 67-56-1 methanol 
• 79-30-1 isobutyryl chloride 
• 75-05-8 acetonitrile 
• 563-80-4 3-methyl-butan-2-one 
• 616-38-6 carbonic acid dimethyl ester 
• 2033-24-1 cycl-isopropylidene malonate 
• 74965-86-9 2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxane-4,6-dione 
• 6832-16-2 methyl diazoacetate 
• 78-84-2 isobutyraldehyde 
• 50652-78-3 methyl 4-methylpent-2-enoate 
• 84794-38-7 5-(1-hydroxy-2-methylpropylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 186581-53-3 diazomethane 
• 5650-76-0 isobutyrylacetic acid 
• 79322-87-5 ethyl 3-oxo-2-acetyl-4-methylpentanoate 

Downstream Products

• 104568-68-5 1-(4-fluorophenyl)-5-methyl-1,4-hexanedione 
• 278597-28-7 methyl 3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylate 
• 124703-77-1 methyl 3-amino-4-methylpent-2-enoate 
• 1047641-65-5 4-methyl-3-oxo-pentanoic acid [2-(2,4-dichloro-phenoxy)-ethyl]-amide 
• 124401-38-3 4-methyl-3-oxo-N-phenylpentanamide 
• 18402-85-2 2,6-dimethyl-hept-4t-en-3-one 
• 73256-91-4 5-hydroxy-5-(2'-methoxy-5'-methylphenyl)-6-methylhept-1-ene 
• 1160855-40-2 2-benzyl-4-(1-hydroxy-2-methylpropylidene)-4H-isoquionoline-1,3-dione 
• 774216-24-9 methyl (S)-3-(phenylamino)-4-methylvalerate 
• 666844-79-7 N-{(E)-2-[4-(2-methoxycarbonyl-4-methyl-3-oxopentyl)-3-methylphenyl]-vinyl}phthalimide 
• 1225057-22-6 methyl 5-isopropyl-2-phenyloxazole-4-carboxylate 
• 1314042-54-0 N,N-diethyl-4-(4-fluorophenyl)-2-hydroxy-6-isopropyl pyrimidine-5-carboxamide 
• 1314042-55-1 5-(diethylcarbamoyl)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl-4-methylbenzenesulfonate 
• 1314042-56-2 N,N-diethyl-4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethane sulfonamido)pyrimidine-5-carboxamide 

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Alkyl N-aryl 1,2,3-triazole-carboxylates are important molecules or intermediates in medicinal chemistry, but the synthesis of N2-aryl counterparts remains elusive. Herein, we describe a Cu-mediated annulation reaction of alkyl 3-aminoacrylates with aryldiazonium salts, both of which are readily available substrates. Furthermore, alkyl 2-aminoacrylates are also viable substrates. Diverse alkyl N2-aryl 1,2,3-triazole-carboxylates and their analogues can be rapidly prepared under mild conditions. Especially, this protocol allows one to access several druglike variants of carbonic anhydrase inhibitors and celecoxib.

Preparation method of atorvastatin calcium

The invention belongs to the technical field of medicine preparation and particularly relates to a patent application about a novel preparation method of atorvastatin calcium. The method includes steps of preparing intermediates including: 2-methyl-3-carbonyl-methyl pentanoate, 2-methyl-3,5-dicarbonyl-5-anilino-butane, 4-methyl-3-oxo-N-phenyl-2-benzylidene pentanamide, 4-(4-fluorophenyl)-2-(2-methylpropionyl)-4-oxo-N-beta-diphenyl butyrylamide. The preparation method employs cheap and easy-to-obtained raw materials, has simple reactions and operations, and has great industrial application prospect. In conclusion, the preparation method has high reaction efficiency and product yield, is good in repeatability, is suitable for industrial production and has great application value and promotion and application significance.