874-61-3

Basic information

• Product Name: 4-Oxocyclohexanecarboxylic acid
• Synonyms: ASINEX-REAG BAS 13516979;4-OXYCYCLOHEXANE CARBOXYLIC ACID;4-OXOCYCLOHEXANECARBOXYLIC ACID;AKOS BB-9760;AKOS 90408;4-Oxocyclohexanecarboxylic;4-Oxocyclohexanecarboxylic acid 97%;4-ketocyclohexanecarboxylic acid
• CAS NO: 874-61-3
• Molecular Formula: C₇H₁₀O₃
• Molecular Weight: 142.15
• Product Categories: Drug Intermediates;Carboxylic Acids;Carboxylic Acids;Ring Systems
• Mol File: 874-61-3.mol
• Article Data: 40

Chemical Properties

• Melting Point: 65-71℃
• Boiling Point: 309.7 °C at 760 mmHg
• Flash Point: 155.3 °C
• Appearance: /
• Density: 1.233 g/cm³
• Vapor Pressure: 0.00014mmHg at 25°C
• Refractive Index: 1.5
• Storage Temp.: 2-8°C
• Solubility: DMSO, Methanol
• PKA: 4.43±0.20(Predicted)
• CAS DataBase Reference: 4-Oxocyclohexanecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Oxocyclohexanecarboxylic acid(874-61-3)
• EPA Substance Registry System: 4-Oxocyclohexanecarboxylic acid(874-61-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39
• WGK Germany: 3
• Hazardous Substances Data: 874-61-3(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

Different sources of media describe the Uses of 874-61-3 differently. You can refer to the following data:
1. 4-Oxocyclohexanecarboxylic Acid is used in the preparation of Indomethacin (I641000) analogues used in the treatment of prostate cancer. In addition it is used in the synthesis of β-alanine derivative s as glucagon receptor antagonists.
2. 4-Oxocyclohexanecarboxylic Acid is used in the preparation of Indomethacin (I641000) analogues used in the treatment of prostate cancer. In addition it is used in the synthesis of β-alanine derivatives as glucagon receptor antagonists.

Definition

ChEBI: A 5-oxo monocarboxylic acid that is cyclohexanone in which one of the hydrogens at position 4 is substituted by a carboxylic acid group.

InChI:InChI=1/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)

Upstream product

• 6940-58-5 pentane-1,3,5-tricarboxylic acid 
• 17159-79-4 ethyl 4-oxocyclohexane-1-carboxylate 
• 71-41-0 pentan-1-ol 
• 100-09-4 4-methoxybenzoic acid 
• 57899-62-4 triethyl 4-oxocyclohexane-1,1,3-tricarboxylate 
• 99-96-7 4-hydroxy-benzoic acid 
• 4746-96-7 1,4-dioxaspiro[4.5]decan-6-one 
• 60-29-7 diethyl ether 
• 4009-98-7 (methoxymethyl)triphenylphosphonium chloride 
• 3685-22-1 4-hydroxycyclohexanecarboxylic acid 
• 98-89-5 Cyclohexanecarboxylic acid 
• 3685-26-5 cis-4-hydroxycyclohexanecarboxylic acid 
• 3685-26-5 trans-4-hydroxycyclohexanecarboxylic acid 
• 116779-06-7 4,4-bis(4-hydroxyphenyl)cyclohexanecarboxylic acid ester 

Downstream Products

• 93503-50-5 4-(2-phenyl-1H-indol-3-yl)-3-cyclohexene-1-carboxylic acid 
• 49708-14-7 4-(4-methoxy-phenyl)-cyclohex-3-enecarboxylic acid 
• 945843-03-8 allyl 4-oxocyclohexanecarboxylate 
• 21146-28-1 1-aminocyclohexane-1,4-dicarboxylic acid 
• 389140-36-7 trans-4-bis-ethoxycarbonylmethyl-1-cyclohexanecarboxylic acid 
• 389140-35-6 cis-4-bis-ethoxycarbonylmethyl-1-cyclohexanecarboxylic acid 
• 389140-37-8 4-bis-ethoxycarbonylmethylene-1-cyclohexanecarboxylic acid 
• 389140-49-2 methyl 6-[(E)-2-[4-{(trans-4-bis-ethoxycarbonylmethyl)cyclohexanecarbonylamino}phenyl]-N-(5-methylhexyl)ethenylsulfonamido]hexanoate 
• 389140-48-1 methyl 6-[(E)-2-[4-{(cis-4-bis-ethoxycarbonylmethyl)cyclohexanecarbonylamino}phenyl]-N-(5-methylhexyl)ethenylsulfonamido]hexanoate 
• 389140-52-7 methyl 6-[(E)-2-[4-{(trans-4-bis-ethoxycarbonylmethyl)cyclohexanecarbonylamino}phenyl]-N-(3-cyclohexylpropyl)ethenylsulfonamido]hexanoate 
• 389140-51-6 methyl 6-[(E)-2-[4-{(cis-4-bis-ethoxycarbonylmethyl)cyclohexanecarbonylamino}phenyl]-N-(3-cyclohexylpropyl)ethenylsulfonamido]hexanoate 
• 168206-68-6 4-tert-butoxycarbonyl-2-(2-methoxycarbonylethyl)cyclohexanone 
• 168206-69-7 3-(2-methoxycarbonyl-ethyl)-4-methylene-cyclohexanecarboxylic acid tert-butyl ester 

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