16646-42-7

Basic information

• Product Name: 1-METHYL-3-CYCLOHEXENECARBOXYLICACID
• Synonyms: 1-METHYL-3-CYCLOHEXENECARBOXYLICACID;1-Methyl-3-cyclohexene-1-carboxylic acid;3-Cyclohexene-1-carboxylic acid, 1-Methyl-;1-Methylcyclohex-3-Enecarboxylic Acid
• CAS NO: 16646-42-7
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18
• Mol File: 16646-42-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 78-79 °C
• Boiling Point: 238.9°Cat760mmHg
• Flash Point: 111.2°C
• Appearance: /
• Density: 1.074g/cm³
• Vapor Pressure: 0.014mmHg at 25°C
• Refractive Index: 1.494
• PKA: 4.79±0.20(Predicted)
• CAS DataBase Reference: 1-METHYL-3-CYCLOHEXENECARBOXYLICACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-3-CYCLOHEXENECARBOXYLICACID(16646-42-7)
• EPA Substance Registry System: 1-METHYL-3-CYCLOHEXENECARBOXYLICACID(16646-42-7)

Safety Data

• Hazardous Substances Data: 16646-42-7(Hazardous Substances Data)

Usage

Carboxylic acid

Functional group
1-Methyl-3-cyclohexenecarboxylic acid is a type of carboxylic acid, which means it contains a carboxyl functional group (-COOH).

Cyclohexene ring

Structure
The compound contains a cyclohexene ring, which is a six-membered carbon ring with alternating single and double bonds.

Methyl group attachment

Substitution
A methyl group (-CH3) is attached to the cyclohexene ring, contributing to the compound's structure and properties.

Pharmaceutical industry use

Intermediate compound
1-Methyl-3-cyclohexenecarboxylic acid is commonly used as an intermediate in the synthesis of other organic compounds, particularly in the production of drugs and pharmaceuticals.

Applications in medications

Anti-inflammatory and analgesic drugs
The compound is used in the manufacturing of various medications, including those with anti-inflammatory and analgesic properties.

Agricultural research potential

Pesticide or herbicide
1-Methyl-3-cyclohexenecarboxylic acid has potential uses in the field of agricultural research as a possible pesticide or herbicide.

Safety concerns

Toxicity and reactivity

Synthesis and applications

Pharmaceutical compounds and other fields
1-Methyl-3-cyclohexenecarboxylic acid plays an important role in the synthesis of pharmaceutical compounds and has potential applications in various other fields.

InChI:InChI=1/C8H12O2/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H,9,10)

Upstream product

• 4771-80-6 1,2,5,6-tetrahydrobenzoic acid 
• 74-88-4 methyl iodide 
• 6493-77-2 methyl cyclohex-3-ene-1-carboxylate 
• 108-18-9 diisopropylamine 
• 24463-40-9 2-(1-Methyl-cyclohex-3-enyl)-[1,3]dioxolane 
• 24463-35-2 C₁₅H₂₀Cl₂N₂O₂S 
• 24463-39-6 4-Dichloromethyl-4-methyl-cyclohexene 
• 75649-73-9 tert-Butyl-dimethyl-(3-methyl-6-vinyl-5,6-dihydro-4H-pyran-2-yloxy)-silane 
• 6493-80-7 methyl 1-methyl-3-cyclohexenecarboxylate 
• 931-96-4 1-methyl-3-cyclohexene-1-carboxaldehyde 
• 79-41-4 poly(methacrylic acid) 
• 106-99-0 buta-1,3-diene 

Downstream Products

• 1123-25-7 1-methyl-1-cyclohexanecarboxylic acid 
• 1259366-26-1 N-((1R,3S)-3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)-1-methylcyclohexyl)pyrrolidine-1-carboxamide 
• 1259366-25-0 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-((1S,3R)-3-isocyanato-3-methylcyclohexyl)pyrimidin-4-amine 
• 1259366-24-9 (1R,3S)-3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-pyrimidin-4-yl]amino]-1-methyl-cyclohexanecarboxamide 
• 1259366-23-8 (1R,3S)-3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)-1-methylcyclohexanecarboxylic acid 
• 1259366-22-7 (1R,3S)-methyl 3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)-1-methylcyclohexanecarboxylate 
• 1259366-21-6 (1R,3S)-methyl 3-(2-(5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)-1-methylcyclohexanecarboxylate 
• 1259366-19-2 (1R,3S)-methyl 3-(2-chloro-5-fluoropyrimidin-4-ylamino)-1-methyl-cyclohexanecarboxylate 
• 1259366-18-1 methyl 5-(tert-butoxycarbonylamino)-1-methylcyclohexanecarboxylate 
• 1259366-17-0 methyl 5-(tert-butoxycarbonylamino)-1-methylcyclohex-3-enecarboxylate 
• 1259366-15-8 tert butyl 4-iodo-1-methyl-7-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate 
• 69352-89-2 1-methylcyclohex-3-ene-1-carboxamide 
• 14064-13-2 (1-methylcyclohexyl)methanol 
• 85319-31-9 Toluene-4-sulfonic acid (1R,5R)-5-methyl-6-oxo-bicyclo[3.2.1]oct-1-yl ester 

Relevant articles and documents

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Inhibitors of influenza viruses replication

Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A compound is represented by Structural Formula (IA) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.

INHIBITORS OF INFLUENZA VIRUSES REPLICATION

Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A compound is represented by Structural Formula (IA) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.