71592-43-3

Basic information

• Product Name: hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
• Synonyms: hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one;3-(3-Methoxyphenyl)-1-Methylazepan-2-one;3-(3-METHOXYPHENYL)-1-METHYL-2-AZEPANONE
• CAS NO: 71592-43-3
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.30616
• EINECS: 275-649-8
• Mol File: 71592-43-3.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 390.4°C at 760 mmHg
• Flash Point: 189.9°C
• Appearance: /
• Density: 1.060
• Vapor Pressure: 2.66E-06mmHg at 25°C
• Refractive Index: 1.523
• Storage Temp.: 2-8°C
• CAS DataBase Reference: hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one(71592-43-3)
• EPA Substance Registry System: hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one(71592-43-3)

Safety Data

• Hazardous Substances Data: 71592-43-3(Hazardous Substances Data)

Usage

General Description

Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one is a chemical compound that belongs to the class of azepine derivatives. It is a white to off-white crystalline powder with a chemical formula of C15H21NO2. hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one has a molecular weight of 247.33 g/mol. It is commonly used in the pharmaceutical industry as a potential therapeutic agent for the treatment of various medical conditions. However, further research is needed to fully understand its potential uses and effects.

InChI:InChI=1/C14H19NO2/c1-15-9-4-3-8-13(14(15)16)11-6-5-7-12(10-11)17-2/h5-7,10,13H,3-4,8-9H2,1-2H3

Upstream product

• 2556-73-2 1-methyl-2-azepanone 
• 766-51-8 2-Chloroanisole 
• 71592-44-4 hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one 
• 77-78-1 dimethyl sulfate 
• 768-66-1 2,2,6,6-tetramethyl-piperidine 
• 71556-71-3 hexahydro-3-(3-methoxyphenyl)-2H-azepin-2-one 
• 71556-70-2 hexahydro-1-methyl-3-(3-oxocyclohexen-1-yl)<2H>azepin-2-one 
• 105-60-2 caprolactam 

Downstream Products

• 71556-72-4 3-Ethyl-hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one 
• 76778-42-2 3-<2H>-hexahydro-3-(3-methoxyphenyl)-1-methyl<2H>azepin-2-one 
• 275807-87-9 (-)-3(S)-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one 
• 275807-86-8 (+)-3(R)-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one 
• 71592-44-4 hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one 
• 71556-74-6 3-Ethyl-hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one 
• 275807-88-0 (-)-3(S)-ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one 
• 275807-89-1 (+)-3(R)-ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one 

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.

Inhibitors of prenyl-protein transferase

The present invention is directed to azepan-2-one compounds which inhibit prenyl-protein transferase, particularly farnesyl-protein transferase (Ftase), and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

Hexahydroazepine, piperidine and pyrrolidine derivatives

The invention concerns novel 2-oxo-hexahydroazepine, -piperidine and -pyrrolidine derivatives of formula (I) and their aromatized derivatives of formula (II) STR1 where n is 2, 3 or 4, R is hydrogen, lower alkyl or aryl(lower)alkyl, R2 is hydrogen, lower alkyl or aryl(lower)alkyl and R3 is hydrogen, lower alkyl, aryl(lower)alkyl, lower alkenyl or lower alkynyl. The compounds are useful as intermediates for preparing 3,3-disubstituted -hexahydroazepine, -piperidine and -pyrrolidine compounds having pharmacological activity, particularly analgesic activity.