113867-23-5

Basic information

• Product Name: (R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
• Synonyms: (R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
• CAS NO: 113867-23-5
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.1953
• Mol File: 113867-23-5.mol

Chemical Properties

• Boiling Point: 393.3±31.0 °C(Predicted)
• Appearance: /
• Density: 1.311±0.06 g/cm3(Predicted)
• PKA: 4.19±0.20(Predicted)
• CAS DataBase Reference: (R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid(113867-23-5)
• EPA Substance Registry System: (R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid(113867-23-5)

Safety Data

• Hazardous Substances Data: 113867-23-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
(R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is used as a key intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique structure and chirality make it an essential component in the development of new pharmaceuticals with improved efficacy and selectivity.
Used in Agrochemical Synthesis:
In the agrochemical industry, (R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is utilized as a crucial intermediate for the synthesis of agrochemicals. Its incorporation into these compounds can lead to enhanced pest control and crop protection.
Used in Research and Development:
(R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is used as a model compound in research for studying the stereochemistry and reactivity of carboxylic acids. This helps scientists understand the fundamental principles governing the behavior of these compounds and aids in the design of more effective and selective drugs and agrochemicals.
Used in the Development of Biologically Active Compounds:
Due to its potential pharmacological activity in biological systems, (R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is employed in the development of biologically active compounds. These compounds can be used for various therapeutic applications, including the treatment of diseases and disorders.

Upstream product

• 139265-28-4 (R)-4-Oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid 4-nitro-phenyl ester 
• 21307-97-1 (R)-2-benzylsuccinic acid 
• 65756-82-3 Z-methyl 4-(phenyl)-3-methoxycarbonylbut-3-enoate 
• 65756-81-2 (Z)-2-benzylidenesuccinic acid 
• 100-52-7 benzaldehyde 
• 6566-40-1 4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 

Downstream Products

• 534599-18-3 (R)-(-)-3-hydroxymethyl-1,2,3,4-tetrahydronaphthalen-1-one 
• 534599-20-7 (R)-4-oxo-1,2,3,4-tetrahydronaphthalen-2-ylmetyl 4-methylbenzenesulfonate 

Relevant articles and documents

Novel compounds

Compounds of formula I, or a salt thereof or a hydrate thereof, as follows: wherein X and Y are selected independently from hydrogen and aryl, which aryl is unsubstituted or substituted one or more times by hydroxy, hydroxyC1-6alkyl, C1-6alkoxyC1-6alkyl, aryl, heterocyclyl, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkoxy, C1-6alkyl, C1-6alkoxy or halo, which alkyl or alkoxy groups are unsubstituted or substituted one or more times by halo; m and n are independently 0 to 3, provided that m and n are not both 0; A represents a single bond or is —(CRpa Rpb)p— wherein p is 1-3 and Rpa and Rpb are selected independently from hydrogen, C1-6alkyl, C1-6alkoxy and halo, which alkyl or alkoxy groups are independently substituted one or more times by halo; B represents a C4-8 saturated or unsaturated ring, which ring is unsubstituted or substituted one or more times by C1-6alkyl, C1-6alkoxy, aryl, aryloxy, hydroxy, oxo, halo, amino, C1-6alkylamino, di(C1-6 alkyl)amino, and C1-6alkylamido, which C1-6alkyl or C1-6alkoxy groups are unsubstituted or substituted one or more times by halo, which aryl group is unsubstituted or substituted one or more times by aryl, heterocyclyl, aryloxy, arylC1-6alkoxy, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkyl, hydroxy, C1-6alkenoxy, C1-6alkoxy, halo, or C1-6alkyl, which C1-6alkyl may be substituted one or more times by halo, and which aryl group is linked to said ring by a single bond or is benzo-condensed therewith are ligands of the ORL-1 receptor.

Preparation of (R)-(-)- and (S)-(+)-3-hydroxymethyl-1-tetralone tosylates, key intermediates in the synthesis of new CNS drugs, via resolution of precursors

The preparation of (R)-(-)- and (S)-(+)-3-hydroxymethyl-1-tetralone tosylates, key intermediates in the synthesis of new CNS drugs in the aminobutyrophenone family, has been developed via classical resolutions or lipase-catalyzed kinetic resolution of one of their precursors.

Comparison of deacylation rates of chymotryptic catalysis within an enantiomeric pair of p-nitrophenyl esters

p-Nitrophenyl esters carrying a chiral acyl group were synthesized. These compounds were shown to meet the requirements of chymotrypsin for both the specific binding and the acylation. Therefore, the behavior of p-nitrophenyl esters with chymotrypsin is c