108993-98-2

Basic information

• Product Name: 5-HYDROXY-2-OXO-2,3-DIHYDRO-1H-[1]BENZAZEPHE-4-CARBOXYLIC ACID ETHYL ESTER
• Synonyms: 5-HYDROXY-2-OXO-2,3-DIHYDRO-1H-[1]BENZAZEPHE-4-CARBOXYLIC ACID ETHYL ESTER;2,3-Dihydro-5-hydroxy-2-oxo-1H-1-benzazepine-4-carboxylic Acid Ethyl Ester
• CAS NO: 108993-98-2
• Molecular Formula: C₁₃H₁₃NO₄
• Molecular Weight: 247.249
• Product Categories: Aromatics Compounds;Aromatics
• Mol File: 108993-98-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: 197-200°C
• Boiling Point: 482.7±45.0 °C(Predicted)
• Appearance: /
• Density: 1.322±0.06 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer
• PKA: 4.50±1.00(Predicted)
• CAS DataBase Reference: 5-HYDROXY-2-OXO-2,3-DIHYDRO-1H-[1]BENZAZEPHE-4-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-HYDROXY-2-OXO-2,3-DIHYDRO-1H-[1]BENZAZEPHE-4-CARBOXYLIC ACID ETHYL ESTER(108993-98-2)
• EPA Substance Registry System: 5-HYDROXY-2-OXO-2,3-DIHYDRO-1H-[1]BENZAZEPHE-4-CARBOXYLIC ACID ETHYL ESTER(108993-98-2)

Safety Data

• Hazardous Substances Data: 108993-98-2(Hazardous Substances Data)

Usage

Chemical Properties

White Crystalline Solid

Synthesis Reference(s)

Journal of the American Chemical Society, 80, p. 2172, 1958 DOI: 10.1021/ja01542a035

Upstream product

• 87-25-2 2-ethoxycarbonylaniline 
• 123-25-1 succinic acid diethyl ester 
• 120572-38-5 4-[(2-ethoxycarbonylphenyl)amino]-4-oxobutanoic acid 
• 14794-31-1 ethyl 3-(chloroformyl)propionate 
• 120572-43-2 diethyl ester of succinoylanthranilic acid 

Downstream Products

• 54620-79-0 2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-ol 
• 585574-35-2 5-hydroxy-1-phenylcarbamoyl-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 380396-43-0 (1-{[methyl-(4-nitro-benzyl)-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester 
• 570360-92-8 {1-[3-(4-nitro-phenyl)-isoxazol-5-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-acetic acid tert-butyl ester 
• 380396-46-3 {1-[4-(4-nitro-phenyl)-thiazol-2-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-acetic acid tert-butyl ester 
• 570360-99-5 {1-[4-(4-amino-phenyl)-thiazol-2-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-acetic acid tert-butyl ester 
• 570360-97-3 {1-[3-(4-amino-phenyl)-isoxazol-5-ylmethyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-acetic acid tert-butyl ester 
• 380396-44-1 (1-{[(4-amino-benzyl)-methyl-carbamoyl]-methyl}-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetic acid tert-butyl ester 
• 380396-42-9 {1-[4-(4-nitro-phenyl)-butyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-acetic acid tert-butyl ester 
• 380396-52-1 {1-[4-(4-amino-phenyl)-butyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl}-acetic acid tert-butyl ester 
• 16511-38-9 1H-[1]benzazepin-2,5(3H,4H)-dione 

Relevant articles and documents

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Design and synthesis of 1,5- and 2,5-substituted tetrahydrobenzazepinones as novel potent and selective integrin αVβ3 antagonists

The design and synthesis of novel integrin αVβ3 antagonists based on a 1,5- or 2,5-substituted tetrahydrobenzaezpinone core is described. In vitro activity of respective compounds was determined via αVβ3 binding assay, and selected derivatives were submitted to further characterization in functional cellular assays. SAR was obtained by modification of the benzazepinone core, variation of the spacer linking guanidine moiety and core, and modification of the guanidine mimetic. These efforts led to the identification of novel αVβ3 inhibitors displaying potency in the subnanomolar range, selectivity versus αIIbβ3 and functional efficacy in relevant cellular assays. A method for the preparation of enantiomerically pure derivatives was developed, and respective enantiomers evaluated in vitro. Compounds 31 and 37 were assessed for metabolic stability, resorption in the Caco-2 assay and pharmacokinetics.