36978-51-5

Basic information

• Product Name: 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID
• Synonyms: 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID
• CAS NO: 36978-51-5
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.24
• Mol File: 36978-51-5.mol

Chemical Properties

• Melting Point: 112-114°C
• Boiling Point: 399.8°C at 760 mmHg
• Flash Point: 209.8°C
• Appearance: /
• Density: 1.137g/cm³
• Vapor Pressure: 4.14E-07mmHg at 25°C
• Refractive Index: 1.536
• CAS DataBase Reference: 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID(36978-51-5)
• EPA Substance Registry System: 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID(36978-51-5)

Safety Data

• Hazardous Substances Data: 36978-51-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-(3-METHYLPHENYL)-5-OXOVALERIC ACID is used as a key intermediate in the synthesis of pharmaceuticals for its potential role in the development of new drugs and therapeutic agents. Its unique structure allows it to be a valuable component in the creation of molecules with specific biological activities.
Used in Chemical Research:
In the chemical industry, 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID is used as a subject of research to explore its properties and potential applications. This includes examining its reactivity, stability, and how it can be modified or combined with other compounds to create new materials or improve existing ones.
Used in Natural Product Extraction:
5-(3-METHYLPHENYL)-5-OXOVALERIC ACID is found in some natural sources such as plants and essential oils. It is used in the extraction and purification processes to isolate 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID for use in various applications, including as a starting material for the synthesis of pharmaceuticals or other chemical products.
Used in Drug Development:
As a compound with potential biological applications, 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID is used in drug development for its possible contribution to the creation of new medications. Researchers are interested in its properties and how it can be utilized to address specific medical needs or improve the efficacy of existing treatments.
Overall, 5-(3-METHYLPHENYL)-5-OXOVALERIC ACID is a versatile compound with applications spanning across the pharmaceutical, chemical, and natural product industries, making it an important substance for ongoing research and development efforts.

InChI:InChI=1/C12H14O3/c1-9-4-2-5-10(8-9)11(13)6-3-7-12(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)

Upstream product

• 108-55-4 glutaric anhydride, 
• 28987-79-3 m-tolylmagnesium bromide 

Downstream Products

• 1270299-80-3 (+)-(R)-δ-(3-methylphenyl)-δ-valerolactone 
• 22009-37-6 7-methyl-3,4-dihydro-2H-naphthalen-1-one 
• 6939-35-1 5-methyl-1-tetralone 

Relevant articles and documents

Direct Synthesis of Chiral NH Lactams via Ru-Catalyzed Asymmetric Reductive Amination/Cyclization Cascade of Keto Acids/Esters

Lactams with a stereogenic center adjacent to the N atom have existed in many medicinal agents and bioactive alkaloids. Herein we report a broadly applicable synthesis of enantioenriched NH lactams through a one-pot asymmetric reductive amination/cyclization sequence of easily available keto acids/esters. Such cascade processes alleviate the demand for protecting group manipulations as well as intermediate purification. This strategy is capable of constructing enantioenriched lactams and benzo-lactams of a five-, six-, or seven-membered ring in generally high yield and with excellent enantioselectivities (up to 97% ee). Scalable and concise syntheses of key drug intermediates have further displayed the importance of this methodology.

Ru-catalyzed asymmetric hydrogenation of δ-keto Weinreb amides: Enantioselective synthesis of (+)-Centrolobine

An efficient asymmetric hydrogenation of δ-keto Weinreb amides catalyzed by a Ru-Xyl-SunPhos-Daipen bifunctional catalyst has been achieved. This method afforded a series of enantio-enriched δ-hydroxy Weinreb amides in good yields (up to 93%) and enantioselectivities (up to 99%). This protocol was successfully applied to the synthesis of the key intermediate of (+)-Centrolobine.

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