2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID

Base Information

• Chemical Name: 2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID
• CAS No.: 1771-65-9
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• Mol file: 1771-65-9.mol

Synonyms:Propionicacid, 3-benzoyl-2-methyl- (6CI,7CI,8CI);2-Methyl-3-benzoylpropionic acid;2-Methyl-4-oxo-4-phenylbutanoic acid;

Chemical Property of 2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID

Chemical Property:

• Appearance/Colour: White Powder or Crystals
• Vapor Pressure: 7.71E-06mmHg at 25°C
• Melting Point: 140-142 °C(lit.)
• Refractive Index: 1.537
• Boiling Point: 360.9 °C at 760 mmHg
• PKA: 4.57±0.23(Predicted)
• Flash Point: 186.3 °C
• PSA: 54.37000
• Density: 1.161 g/cm³
• LogP: 1.98010
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-4-oxo-4-phenylbutyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 2-Methyl-4-oxo-4-phenylbutyric Acid is a chemical reagent used in the synthesis of various pharmaceutically active compounds. Used in the synthesis of Minozac, a suppressor of brain proinflammatory cytokine up-regulation.

Technology Process of 2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID

There total 38 articles about 2-METHYL-4-OXO-4-PHENYLBUTYRIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2-methyl-4-oxo-4-phenyl-butyric acid methyl ester (36057-38-2) → 2-methyl-4-oxo-4-phenylbutanoic acid (1771-65-9)

Guidance literature:

With sodium hydroxide; water; In tetrahydrofuran; for 4h;

Reference yield: 98.0%

3-benzoyl-2-methylenepropionic acid (15732-75-9) → 2-methyl-4-oxo-4-phenylbutanoic acid (1771-65-9)

Guidance literature:

With hydrogen; palladium diacetate; zinc trifluoromethanesulfonate; 1,4-di(diphenylphosphino)-butane; In 1,2-dichloro-ethane; at 60 ℃; for 12h; under 750.075 Torr; Reagent/catalyst; Solvent; Temperature; chemoselective reaction; Catalytic behavior; Autoclave;

DOI:10.1039/c9ob00005d

Reference yield: 95.0%

4-diethylphosphonooxy-2-methyl-4-phenyl-2-butenenitrile (111571-82-5,111571-83-6) → 2-methyl-4-oxo-4-phenylbutanoic acid (1771-65-9)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 4.5h; Heating;

upstream raw materials:

1-phenylbut-2-en-1-one

3-benzoyl-2-methylenepropionic acid

(E)-2-methyl-3-benzoylpropenoic acid

2-methyl-4-oxo-4-phenyl-cis-crotonic acid

Downstream raw materials:

N,N-diphenylurea

succinimido 3-benzoyl-2-methylpropionate

3-methyl-5-phenylfuran-2-(5H)-one

3-methyl-5-phenylfuran-2(3H)-one

Refernces

• 1、 -. "gamma-alkenyl ketone and preparation method thereof". . . Retrieved 2020/02/29.
• 2、 Poklukar, Ga?per,Stephan, Michel,Mohar, Barbara. "Modular 1,1′-Ferrocenediyl-cored P-Stereogenic Diphosphines: ′′JDayPhos′′ Series and its Use in Rhodium(I)-Catalyzed Hydrogenation". supporting information. p. 2566 - 2570. Retrieved 2018/05/16.