29427-69-8

Basic information

• Product Name: 3-Oxoindane-1-carboxylic acid
• Synonyms: 2,3-dihydro-3-oxo-1h-indene-1-carboxylicacid;3-oxo-2,3-dihydro-1h-indene-1-carboxylicacid;3-OXOINDANE-1-CARBOXYLIC ACID;3-OXO-1-INDAN-1-CARBOXYLIC ACID;3-OXO-1-INDANCARBOXYLIC ACID;3-OXO-INDAN-1-CARBOXYLIC ACID;1-Indanone-3-carboxylic Acid;3-Oxo-1-indan-2-carboxylic acid
• CAS NO: 29427-69-8
• Molecular Formula: C₁₀H₈O₃
• Molecular Weight: 176.17
• Product Categories: Benzocycles;pharmacetical;Carboxylic Acids;Miscellaneous;Carboxylic Acids;Fused Ring Systems;Pharmaceutical intermediate;C10;Carbonyl Compounds
• Mol File: 29427-69-8.mol
• Article Data: 14

Chemical Properties

• Melting Point: 111-113 °C(lit.)
• Boiling Point: 365.01 °C at 760 mmHg
• Flash Point: 188.737 °C
• Appearance: /
• Density: 1.384 g/cm³
• Vapor Pressure: 5.72E-06mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.67±0.20(Predicted)
• CAS DataBase Reference: 3-Oxoindane-1-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Oxoindane-1-carboxylic acid(29427-69-8)
• EPA Substance Registry System: 3-Oxoindane-1-carboxylic acid(29427-69-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• RTECS: NK8260000
• Hazardous Substances Data: 29427-69-8(Hazardous Substances Data)

Usage

Description

3-Oxoindane-1-carboxylic acid is an organic compound that plays a crucial role in the synthesis of various pharmaceutical compounds, including 3-hydroxymethyl-1-indanol. It is characterized by its ability to undergo enantiomeric separation on liquid chromatography chiral stationary phases (CSPs) using supercritical fluid chromatography (SFC). This property makes it a valuable intermediate in the development of enantiomerically pure drugs.

Uses

Used in Pharmaceutical Industry:
3-Oxoindane-1-carboxylic acid is used as a key intermediate in the synthesis of various pharmaceutical compounds, such as 3-hydroxymethyl-1-indanol. Its ability to undergo enantiomeric separation on CSPs makes it a valuable component in the development of enantiomerically pure drugs, which can have significant implications for the efficacy and safety of medications.
Used in Chiral Separation Techniques:
3-Oxoindane-1-carboxylic acid is used as a test compound in the development and optimization of chiral separation techniques, such as supercritical fluid chromatography (SFC). Its enantiomeric separation on liquid chromatography chiral stationary phases (CSPs) has been reported, and the use of a new immobilized polysaccharide chiral stationary phase, CHIRALPAK IA with hexane, has been described for this purpose. This application is crucial for the advancement of chiral separation methods, which are essential in the pharmaceutical industry for the production of enantiomerically pure drugs.

Synthesis Reference(s)

Journal of the American Chemical Society, 106, p. 6702, 1984 DOI: 10.1021/ja00334a040

InChI:InChI=1/C10H8O3/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13)/p-1/t8-/m1/s1

Upstream product

• 83-72-7 2-hydroxynaphtho-1,4-quinone 
• 623-11-0 1-methyl-4-nitrosobenzene 
• 635-51-8 2-phenylsuccinic acid 
• 1131-15-3 2-phenylsuccinic anhydride 
• 124-38-9 carbon dioxide 
• 27973-23-5 3-methoxy-1H-indene 
• 7664-93-9 sulfuric acid 
• 83-33-0 inden-1-one 
• 24472-77-3 trimethyl-(2-oxo-2-phenylethyl)-ammonium bromide 
• 97301-06-9 1-Phenacyl-4-aza-1-azonia-bicyclo<2.2.2>octan-bromid 
• 70916-14-2 triethyl-(2-oxo-2-phenylethyl)ammonium bromide 
• 70-11-1 α-bromoacetophenone 
• 100-52-7 benzaldehyde 
• 5292-53-5 diethyl benzalmalonate 

Downstream Products

• 29427-70-1 methyl 3-oxo-2,3-dihydro-1H-indene-1-carboxylate 
• 60031-28-9 2-benzal-3-oxoindancarboxylic acid 
• 240403-52-5 N-<(1-oxoindan-3-yl)carbonyl>-4-(p-fluorobenzoyl)piperidine 
• 240403-55-8 N¹-<(1-oxoindan-3-yl)carbonyl>-N⁴-(o-methoxyphenyl)piperazine 
• 14381-42-1 Indan-1-carboxylic acid 
• 88-99-3 benzene-1,2-dicarboxylic acid 
• 470688-50-7 3-oxo-indan-1-carboxylic acid benzyl ester 
• 357426-12-1 methyl 3-(aminomethyl)indan-1-carboxylate 
• 357426-13-2 1,5-methano-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine 
• 357425-93-5 1,5-methano-2,3,4,5-tetrahydro-1H-3-benzazepine p-toluenesulfonic acid salt 
• 26452-96-0 methyl indane-1-carboxylate 
• 470688-53-0 C₂₉H₂₆NO₃P 

Relevant articles and documents

Synthesis of new 6-substituted purinyl-5′-nor-1′- homocarbanucleosides based on indanol

A series of new 6-substituted purinyl-5′-nor-1′- homocarbanucleosides based on indanol were synthesized from (±)-cis-3- hydroxymethyl-1-indanol, an appropriately functionalized derivative of which was reacted with 6-chloropurine in the presence of NaH and

Preparation method and application of tetrahydroisoquinoline derivative

The invention discloses a preparation method of a tetrahydroisoquinoline derivative. The tetrahydroisoquinoline derivative is prepared by subjecting 1-(tetrapyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline and 2,3-dihydro-indene-3-one-1-carboxylic acid to condensation. Process conditions are optimized so that preparation steps are simplified. Agents used in the preparation are pollution free. The prepared tetrahydroisoquinoline derivative 1-(tetrapyrrolidin-1-methyl)-2-(2,3-dihydro-indene-3-one-1-carbonyl)-1,2,3,4-tetrahydroisoquinoline can provide good calming effect against neuropathic pain.The tetrahydroisoquinoline derivative has high medical value in drug compositions for pain treatment and in replacing dependent analgesics, such as morphine.

SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE

Compounds having a structure of Formula (IX) or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R1, R2a, R2b, R3a, R3b, R4a, R4b, Q1----Q2, R6, R7, A, B, W, x, and y are as defined herein and are provided. Pharmaceutical compositions comprising such compounds and methods for treating various HAT-related conditions or diseases, including cancer, by administration of such compounds are also provided.

Rhodium-catalyzed C-H activation of phenacyl ammonium salts assisted by an oxidizing C-N bond: A combination of experimental and theoretical studies

Rh(III)-catalyzed C-H activation assisted by an oxidizing directing group has evolved to a mild and redox-economic strategy for the construction of heterocycles. Despite the success, these coupling systems are currently limited to cleavage of an oxidizing