7508-13-6

Basic information

• Product Name: 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID
• Synonyms: 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID;OTAVA-BB 1043534;UKRORGSYN-BB BBV-213466
• CAS NO: 7508-13-6
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• Mol File: 7508-13-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 418.3°Cat760mmHg
• Flash Point: 220.9°C
• Appearance: /
• Density: 1.114g/cm³
• Vapor Pressure: 9.6E-08mmHg at 25°C
• Refractive Index: 1.533
• CAS DataBase Reference: 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID(7508-13-6)
• EPA Substance Registry System: 5-(3,4-DIMETHYLPHENYL)-5-OXOVALERIC ACID(7508-13-6)

Safety Data

• Hazardous Substances Data: 7508-13-6(Hazardous Substances Data)

Usage

General Description

5-(3,4-Dimethylphenyl)-5-oxovaleric acid is an organic compound with the molecular formula C13H16O3. It is a ketone derivative of valeric acid, containing a five-carbon chain with a terminal carboxylic acid group and a phenyl group with two methyl substituents at the 3 and 4 positions. This chemical is commonly used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and organic materials. It can also serve as a precursor for the production of flavors and fragrances. Due to its versatile nature, 5-(3,4-dimethylphenyl)-5-oxovaleric acid has applications in a wide range of industries, particularly in the development of new and innovative products.

InChI:InChI=1/C13H16O3/c1-9-6-7-11(8-10(9)2)12(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)

Upstream product

• 5205-39-0 ethyl glutaroyl chloride 
• 95-47-6 o-xylene 
• 108-55-4 glutaric anhydride, 
• 504-02-9 1,3-cylohexanedione 

Downstream Products

• 35872-49-2 5-(3,4-dimethyl-phenyl)-valeric acid 
• 7508-31-8 8,9-dimethyl-5,6-dihydro-4H-benzo[6,7]cyclohepta[1,2-b]furan-2,3-dione 
• 7508-12-5 2,3‐dimethyl‐6,7,8,9‐tetrahydro‐5H‐benzo[7]annulen‐5‐one 
• 1609188-54-6 2,3-dimethyl-5-(2-methoxyphenyl)-8,9-dihydro-7H-benzocycloheptene-6-carbaldehyde 
• 1609188-57-9 2,3-dimethyl-5-(2-methoxyphenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid 

Relevant articles and documents

Iridium/f-Amphol-catalyzed Efficient Asymmetric Hydrogenation of Benzo-fused Cyclic Ketones

Iridium/f-Amphol-catalyzed asymmetric hydrogenation of various benzo-fused five to seven-membered cyclic ketones was successfully developed, affording a series of chiral benzo-fused cyclic alcohols with excellent results (75%–99% yields, 93%–>99% ee, and TON up to 297 000). The enantioenriched products can be employed as key intermediates or motifs for the synthesis of some important biologically active compounds, such as rasagiline mesylate TVP-1012 used for the treatment of Parkinson's disease, the enantiomer of anticonvulsant drug eslicarbazepine acetate (BIA 2-093). (Figure presented.).

Three-component, one-pot synthesis of benzo[6,7]cyclohepta[1,2-b]pyridine derivatives under catalyst free conditions and evaluation of their anti-inflammatory activity

An efficient three-component protocol is described for the synthesis of benzo[6,7]cyclohepta[1,2-b]pyridine derivatives using β-chloroacroleins, 1,3-dicarbonyls and ammonium acetate under catalyst free conditions by using ethanol as reaction media. The mild reaction conditions, operational simplicity and high yields are the advantages of this protocol and the broad scope of this one-pot reaction makes this procedure promising for practical usages. All the final compounds were screened for anti-inflammatory activity. Among the compounds tested, the compounds 5a, 5b, 5c, 5d, 5f, and 5k exhibited significant inhibition of IL-1β and MCP-1 secretion as a measure of anti-inflammatory activity.

Phenethylamine in a rigid framework. 2,3-Substituted cis- and trans-6-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ols.

-