51036-98-7

Basic information

• Product Name: 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID
• Synonyms: 4-(3,4-Dimethylphenyl)-4-oxobutanoic acid; Benzenebutanoic acid, 3,4-dimethyl-gamma-oxo-
• CAS NO: 51036-98-7
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.24
• Mol File: 51036-98-7.mol

Chemical Properties

• Melting Point: 129 °C
• Boiling Point: 402.1°Cat760mmHg
• Flash Point: 211.1°C
• Appearance: /
• Density: 1.138g/cm³
• Vapor Pressure: 3.47E-07mmHg at 25°C
• Refractive Index: 1.539
• PKA: 4.58±0.17(Predicted)
• CAS DataBase Reference: 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID(51036-98-7)
• EPA Substance Registry System: 4-(3,4-DIMETHYLPHENYL)-4-OXOBUTANOIC ACID(51036-98-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 51036-98-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-(3,4-Dimethylphenyl)-4-oxobutanoic acid is used as an intermediate in the synthesis of various drugs and pharmaceuticals for its ability to contribute to the formation of complex molecular structures that possess therapeutic properties.
Used in Fine Chemicals Production:
DMPA is used as a building block in the production of various organic compounds and materials, serving as a key component in the creation of specialty chemicals that have specific applications in different industries.
Used in Organic Compounds Synthesis:
4-(3,4-Dimethylphenyl)-4-oxobutanoic acid is utilized in the synthesis of organic compounds, where its unique structure allows for the development of new molecules with potential applications in various fields, including but not limited to medicine, agriculture, and material science.

InChI:InChI=1/C12H14O3/c1-8-3-4-10(7-9(8)2)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)

Upstream product

• 175394-01-1 4-(3,4-dimethylphenyl)-4-oxobutanoic acid ethyl ester 
• 35288-13-2 3-(4-cyclohexylbenzoyl)propionic acid 

Downstream Products

• 86306-27-6 4-(3,4-dimethyl-phenyl)-4-oxo-butyric acid methyl ester 
• 5465-18-9 γ-(3,4-dimethylphenyl)butyric acid 
• 619-04-5 3,4-dimethylbenzoic acid 
• 54543-72-5 3-((Ξ)-benzylidene)-5-(3,4-dimethyl-phenyl)-3H-furan-2-one 
• 107728-56-3 4-(3,4-dimethyl)benzoyl-4,5-dihydro-2(3H)-furanone 
• 80241-35-6 5-(3,4-dimethylphenyl)furan-2-(3H)one 
• 19550-57-3 6,7-dimethyl-1-tetralone 
• 141-82-2 malonic acid 
• 4869-36-7 6-(3,4-dimethyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one 
• 107728-69-8 1-(3,4-Dimethyl-phenyl)-2-hydroxymethyl-1,4,4-triphenyl-butane-1,4-diol 
• 1196873-03-6 C₁₃H₁₆O₂ 

Relevant articles and documents

Phosphonic acid compounds, their production and use

The present invention relates to a compound of the general formula (I): STR1 wherein ring A is a benzene ring that may be substituted; Y is a divalent group as a constituent member of ring B forming a 5- to 8-membered ring; Q1 is a group of the formula --X--P(O)(OR1)(OR2) wherein X is a bond or a divalent group; R1 and R2, identical or different, are hydrogen or a lower alkyl, or may be combined together to form a ring; Q2 is hydrogen, a hydrocarbon group that may be substituted or a heterocyclic group that may be substituted; and the group of the formula --CON(Q1)(Q2) is connected to the a- or b-position carbon atom, or a salt thereof, which is useful as prophylactic and therapeutic agents of various metabolic bone diseases such as osteoporosis.