3123-46-4

Basic information

• Product Name: 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
• Synonyms: 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;4-oxo-1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid;1,2,3,4-tetrahydro-4-oxo-1-naphthalenecarboxylic acid
• CAS NO: 3123-46-4
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.1953
• Mol File: 3123-46-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 93-95 °C
• Boiling Point: 379.9°Cat760mmHg
• Flash Point: 197.7°C
• Appearance: /
• Density: 1.311g/cm³
• Vapor Pressure: 1.9E-06mmHg at 25°C
• Refractive Index: 1.595
• PKA: 3.97±0.20(Predicted)
• CAS DataBase Reference: 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid(3123-46-4)
• EPA Substance Registry System: 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid(3123-46-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 3123-46-4(Hazardous Substances Data)

Usage

General Description

4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, also known as 4-oxo-Tetrahydronaphthalene-1-carboxylic acid, is a chemical compound that belongs to the class of naphthalene carboxylic acids. It is a white to off-white powder with a molecular formula of C11H10O3. 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It has various applications in the pharmaceutical and chemical industries, including as a building block in the production of drugs and as a precursor for the synthesis of other organic compounds. Additionally, 4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is known for its potential as an anti-inflammatory and analgesic agent, making it a valuable compound in medicinal research and drug development.

InChI:InChI=1/C11H10O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-4,9H,5-6H2,(H,13,14)

Upstream product

• 2959-96-8 2-phenylglutaric anhydride 
• 2628-87-7 2-phenylglutaric acid 
• 100972-50-7 2-phenyl-glutaric acid-1-ethyl ester-5-methyl ester 
• 101-97-3 Ethyl 2-phenylethanoate 
• 1092706-10-9 (S)-2-phenyl-glutaric acid-anhydride 
• 7664-93-9 sulfuric acid 
• 59349-80-3 (S)-2-phenyl-glutaric acid 

Downstream Products

• 1914-65-4 tetralin-1-carboxylic acid 
• 85977-52-2 (S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid 
• 23357-47-3 (R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid 
• 156390-35-1 methyl 1,2,3,4-tetrahydro-4-oxonaphthalene carboxylate 
• 1610343-49-1 1-(1',4-dimethyl-1-phenyl-1H,1'H-[3,4'-bipyrazol]-5-yl)-3-(4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl)urea 

Relevant articles and documents

(±)-4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid: Hydrogen bonding and carboxyl disordering in a δ-keto acid

The crystal structure of the title compound (C11H10O3) contains hydrogen-bonded centrosymmetric carboxyl dimers. Significant carboxyl disorder was found, and was modeled by two rotational conformers, yielding two O...O distances of 2.649 (14) and 2.666 (17) A.

Aryl fused azapolycyclic compounds

This invention is directed to compounds of the formula (I): and their pharmaceutically acceptable salts, wherein R1, R2, R3 and Z are as defined herein; intermediates for the synthesis of such compounds, pharmaceutical com