141642-82-2

Basic information

• Product Name: ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE
• Synonyms: ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE;Hexahydro-5-oxo-1H-azepine-1,4-dicarboxylicacid1-tert-butyl4-ethyldiester;1-TERT-BUTYL 4-ETHYL-5-OXOAZEPANE-1,4-DICARBOXYLATE;5-oxo-azepane-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester;Ethyl 1- Boc-5-oxoazepane-4-carboxylate;ETHYL-1-BOC-OXO-HEXA-HYDRO-1H-AZEPINE-4-CARBOXYLATE;1H-Azepine-1,4-dicarboxylicacid, hexahydro-5-oxo-, 1-(1,1-dimethylethyl) 4-ethyl ester;Tert-Butyl 4-(ethoxycarbonyl)-5-oxoazepane-1-carboxylate
• CAS NO: 141642-82-2
• Molecular Formula: C₁₄H₂₃NO₅
• Molecular Weight: 285.34
• Product Categories: pharmacetical
• Mol File: 141642-82-2.mol
• Article Data: 32

Chemical Properties

• Boiling Point: 380.8 °C at 760 mmHg
• Flash Point: 184.1 °C
• Appearance: /
• Density: 1.127g/cm³
• Vapor Pressure: 5.33E-06mmHg at 25°C
• Refractive Index: 1.479
• PKA: 11.41±0.20(Predicted)
• CAS DataBase Reference: ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE(141642-82-2)
• EPA Substance Registry System: ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE(141642-82-2)

Safety Data

• Hazardous Substances Data: 141642-82-2(Hazardous Substances Data)

Usage

Description

ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is characterized by its unique chemical structure, which includes a hexahydro-1H-azepine ring with a carboxylate group and a Boc-protected oxo group. This structure makes it a versatile building block for the development of new drugs and pharmaceutical agents.

Uses

Used in Pharmaceutical Industry:
ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE is used as a synthetic intermediate for the development of new pharmaceutical compounds. Its unique chemical structure allows for the creation of a wide range of molecules with potential therapeutic applications.
Used in the Synthesis of 5-HT2C Receptor Agonists:
ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE is used as a key component in the synthesis of selective 5-HT2C receptor agonists. These agonists have potential applications in the treatment of various psychiatric and neurological disorders, such as depression, anxiety, and schizophrenia.
Used in Structure-Activity Relationship Studies:
ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE is utilized in the study of the structure-activity relationship of pyrimido[4,5-d]azepines. This research helps to understand the relationship between the chemical structure of these compounds and their biological activity, which is crucial for the design and development of more effective drugs.

InChI:InChI=1/C14H23NO5/c1-5-19-12(17)10-6-8-15(9-7-11(10)16)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3

Upstream product

• 623-73-4 diazoacetic acid ethyl ester 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 24424-99-5 di-tert-butyl dicarbonate 
• 41979-39-9 4-piperidone hydrochloride 
• 188975-88-4 tert-butyl 4-oxoazepane-1-carboxylate 

Downstream Products

• 50492-22-3 azepan-4-one hydrochloride 
• 851376-98-2 3-oxo-2-phenyl-2,3,4,5,7,8-hexahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester 
• 851376-80-2 tert-butyl 3-oxo-2,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(1H)-carboxylate 
• 912444-87-2 1-(tert-butyl) 4-ethyl 5-hydroxyazepane-1,4-dicarboxylate 
• 928775-37-5 1,1-dimethylethyl 3-oxo-2-[1-(phenylmethyl)-4-piperidinyl]-3,3a,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate 
• 938180-59-7 C₂₀H₂₅N₃O₄ 
• 1023953-91-4 C₁₆H₂₅N₃O₃ 
• 1023953-97-0 C₂₀H₂₅N₃O₃ 
• 1023953-95-8 C₂₀H₂₄FN₃O₃ 
• 1023953-97-0 tert-butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate 
• 1148136-69-9 4-(4-fluoro-benzoyl)-5-oxo-azepane-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester 
• 1190897-55-2 C₁₉H₂₅N₃O₃ 
• 1228230-29-2 10-hydroxy-5,6,8,9-tetrahydro-1,4,7,10a-tetraaza-cyclohepta[f]indene-7-carboxylic acid tert-butyl ester 
• 1245646-44-9 C₁₃H₂₀N₄O₃ 

Relevant articles and documents

Discovery of β-Arrestin Biased Ligands of 5-HT7R

Though many studies have been published about therapeutic potentials of selective 5-HT7R ligands, there have been few biased ligands of 5-HT7R. The development of potent and selective biased ligands of 5-HT7R would be of great help in understanding the relationship between pharmacological effects and G protein/β-arrestin signaling pathways of 5-HT7R. In order to identify 5-HT7R ligands with biased agonism, we designed and synthesized a series of tetrahydroazepine derivatives 1 and 2 with arylpyrazolo moiety or arylisoxazolo moiety. Through several biological evaluations such as binding affinity, selectivity profile, and functions in G protein and β-arrestin signaling pathways, 3-(4-chlorophenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine 1g was discovered as the β-arrestin biased ligand of 5-HT7R. In an electroencephalogram (EEG) test, 1g increased total non-rapid eye movement (NREM) sleep time and decreased total rapid eye movement (REM) sleep time.

Discovery and SAR studies of 2-alkyl-3-phenyl-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepines as 5-HT7/2 inhibitors leading to the identification of a clinical candidate

We report here the synthesis and characterization of a dual 5-HT7 / 5-HT2 receptor antagonist 3-(4-Fluoro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene (4j). 4j is a high affinity 5-HT7 and 5-HT2A/su

PYRIMIDINE-BASED BICYCLES AS ANTIVIRAL AGENTS FOR THE TREATMENT AND PREVENTION OF HIV INFECTION

This invention relates to pyrimidine derivatives, having HIV replication inhibiting. The present invention provides new pyrimidine compounds, designed for the treatment and prevention of HIV-mediated diseases. The invention further relates to pharmaceutical compositions and drugs contained in them. The invention also relates to the use of abovementioned compounds for the treatment and/or prevention of HIV in subjects with HIV-infection (human immunodeficiency virus) or having risk of getting HIV-infection.

Synthesis of azabicyclo[n.1.0]alkane-derived bifunctional building blocks via the Corey–Chaykovsky cyclopropanation

An efficient approach towards the synthesis of monoprotected azabicyclo[5.1.0]octane-derived conformationally restricted γ-amino acids and diamines is reported. Optimization of the conditions for the key Corey–Chaykovsky reaction allowed the construction