71556-74-6

Basic information

• Product Name: 3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-ONE
• Synonyms: 3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-ONE;3-ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one;3-Ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one, tech
• CAS NO: 71556-74-6
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.33
• EINECS: 275-622-0
• Mol File: 71556-74-6.mol
• Article Data: 9

Chemical Properties

• Melting Point: 172 °C
• Boiling Point: 429.8 °C at 760 mmHg
• Flash Point: 213.7 °C
• Appearance: /
• Density: 1.073
• Vapor Pressure: 5.43E-08mmHg at 25°C
• Refractive Index: 1.534
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-ONE(71556-74-6)
• EPA Substance Registry System: 3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-ONE(71556-74-6)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39
• Hazardous Substances Data: 71556-74-6(Hazardous Substances Data)

Usage

Description

3-Ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one, with the CAS number 71556-74-6, is a chemical compound that serves as an impurity in meptazinol, a mixed opioid agonist-antagonist. 3-ETHYL-3-(3-HYDROXYPHENYL)-1-METHYLAZEPAN-2-ONE is characterized by its structural features, which include an ethyl group, a hydroxyphenyl group, and a methylazepan-2-one core. It plays a role in the pharmaceutical industry due to its association with meptazinol, which is used for its analgesic properties.

Uses

Used in Pharmaceutical Industry:
3-Ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one is used as an impurity in the production of meptazinol for its analgesic effects. Meptazinol, being a mixed opioid agonist-antagonist, is effective in managing moderate to severe pain, and this compound is a byproduct of its synthesis process.
As an Impurity in Meptazinol:
3-Ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one is used in the context of meptazinol as an impurity that may need to be controlled or monitored during the manufacturing process. The presence of this compound can affect the purity and efficacy of the final drug product, so its management is crucial for ensuring the safety and effectiveness of meptazinol as an analgesic medication.

InChI:InChI=1/C15H21NO2/c1-3-15(12-7-6-8-13(17)11-12)9-4-5-10-16(2)14(15)18/h6-8,11,17H,3-5,9-10H2,1-2H3

Upstream product

• 71592-44-4 hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one 
• 75-03-6 ethyl iodide 
• 87887-10-3 3-(2-chloro-3-oxocyclohex-1-enyl)-3-ethylhexahydro-1-methylazepin-2-one 
• 87887-09-0 3-(2-bromo-3-oxocyclohex-1-enyl)-3-ethylhexahydro-1-methylazepin-2-one 
• 71556-72-4 3-Ethyl-hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one 
• 2556-73-2 1-methyl-2-azepanone 
• 766-51-8 2-Chloroanisole 
• 71592-43-3 hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one 
• 105-60-2 caprolactam 
• 71556-70-2 hexahydro-1-methyl-3-(3-oxocyclohexen-1-yl)<2H>azepin-2-one 
• 71556-77-9 3-ethyl-hexahydro-1-methyl-3-(3-oxocyclohexen-1-yl)-2H-azepin-2-one 

Downstream Products

• 54340-58-8 3-(3-ethyl-1-methyl-1H-hexahydroazepin-3-yl)phenol 
• 275806-12-7 2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile 
• 301296-47-9 2-[3-(3-Ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-(3-methyl-3H-imidazole-4-carbonyl)-benzonitrile 
• 275807-75-5 2-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]-4-(1-trityl-1H-imidazol-4-ylmethyl)benzonitrile 
• 275806-98-9 2-[3-(3S-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-methylamino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-benzonitrile 
• 1262385-30-7 C₂₅H₃₈N₂O₅ 

Relevant articles and documents

Method for preparing MPTF-E (meptazinol E)

The invention discloses a method for preparing MPTF-E (meptazinol E), and belongs to the technical field of chemical drug preparation. The method comprises the following steps: (1) chloroanisole reacts with N-methylcaprolactam, and a compound I is obtained; (2) the compound I reacts with iodoethane, and a compound II is obtained; (3) boron bromide reacts with the compound II, and a compound III is obtained; (4) the compound III reacts with bromobutane, and a compound IV is obtained; (5) the compound IV is dissolved in anhydrous THF (tetrahydrofuran), lithium aluminum hydride is added, reaction reflux is performed, reactants are cooled to the room temperature, H2O is slowly added to a reaction liquid, then MgSO4 is added for stirring, filtration, reduced-pressure distillation and purification are performed, and a compound V is obtained. The method has the following advantages that MPTF-E is synthesized for the first time, and qualified impurity E comparison products are provided for meptazinol; a reagent adopted is a common solvent and easy to obtain; safe solvents such as ethyl acetate, petroleum ether and the like are used for treatment and have low toxicity; the process is simple and easy to operate, little energy is consumed, the stability is high, and the purity is high.

Method of treating cancer

The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase. The invention also relates to methods of preparing such compositions.

2-Bromo-3-methoxycyclohex-2-enone, a New Reagent for the α-Arylation of Lactams

We report efficient syntheses of 2-bromo and 2-chloro-3-methoxycyclohex-2-enone and their use as m-hydroxyphenyl cation synthons for the α-arylation of lactams.The sequence has been used to synthesize the analgesic drug meptazinol.