80012-69-7

Basic information

• Product Name: 11H-Dibenzo[b,e]azepine-6-carbonitrile
• Synonyms: 6-CYANO-11-HYDRO-DIBENZOAZEPINE;11H-DIBENZO[B,E]AZEPINE-6-CARBONITRILE
• CAS NO: 80012-69-7
• Molecular Formula: C₁₅H₁₀N₂
• Molecular Weight: 218.25
• Mol File: 80012-69-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 99-101 °C(Solv: acetonitrile (75-05-8))
• Boiling Point: 377.4 °C at 760 mmHg
• Flash Point: 182.1 °C
• Appearance: /
• Density: 1.14 g/cm³
• Vapor Pressure: 6.76E-06mmHg at 25°C
• Refractive Index: 1.646
• PKA: -0.84±0.20(Predicted)
• CAS DataBase Reference: 11H-Dibenzo[b,e]azepine-6-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 11H-Dibenzo[b,e]azepine-6-carbonitrile(80012-69-7)
• EPA Substance Registry System: 11H-Dibenzo[b,e]azepine-6-carbonitrile(80012-69-7)

Safety Data

• Hazardous Substances Data: 80012-69-7(Hazardous Substances Data)

Usage

General Description

11H-Dibenzo[b,e]azepine-6-carbonitrile is a chemical compound with the molecular formula C16H9N. It belongs to the dibenzoazepine class of compounds and contains a carbonitrile functional group. This chemical is used in pharmaceutical research and can exhibit a range of biological activities, including antipsychotic and antidepressant effects. Its molecular structure consists of two benzene rings fused to a seven-membered ring containing a nitrile group. 11H-Dibenzo[b,e]azepine-6-carbonitrile is a versatile compound with potential applications in drug development and medical research.

InChI:InChI=1/C15H10N2/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9H2

Upstream product

• 1211-06-9 5,11-dihydro-6H-dibenz[b,e]azepin-6-one 
• 1143-50-6 5,6-dihydro-6,11-dioxomorphanthridine 
• 773837-37-9 sodium cyanide 
• 4998-12-3 6-chloro-11H-dibenzazepine 
• 143-33-9 sodium cyanide 

Downstream Products

• 127786-09-8 9,13b-dihydro-3-(4-morpholinyl)-1H-dibenzimidazo<1,5-a>azepine 
• 80012-87-9 9,13b-dihydro-N-pentyl-1H-dibenzimidazo<1,5-a>azepin-3-amine 
• 127786-10-1 9,13b-dihydro-3-(1-pyrrolidinyl)-1H-dibenzimidazo<1,5-a>azepine 
• 127786-07-6 9,13b-dihydro-N-ethyl-1H-dibenzimidazo<1,5-a>azepin-3-amine 
• 127786-08-7 9,13b-dihydro-N-(2-propenyl)-1H-dibenzimidazo<1,5-a>azepin-3-amine 
• 127786-06-5 9,13b-dihydro-N-methyl-1H-dibenzimidazo<1,5-a>azepin-3-amine 
• 127786-02-1 9,13b-dihydro-3-(methylthio)-1H-dibenzimidazo<1,5-a>azepine hydriodide 
• 127786-29-2 3-amino-9,13b-dihydro-1H-dibenzimidazo<1,5-a>azepine hydrobromide 
• 108929-04-0 epinastine hydrochloride 
• 127786-01-0 N-<(6,11-dihydro-5H-dibenzazepin-6-yl)methyl>-N'-ethyl-urea 
• 127786-00-9 N-<(6,11-dihydro-5H-dibenzazepin-6-yl)methyl>-N'-methyl-urea 
• 80012-85-7 1,2,9,13b-tetrahydro-3H-dibenzimidazo<1,5-a>azepine-3-thione 
• 41218-84-2 6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine 

Relevant articles and documents

Synthetic method of epinastine hydrochloride

The invention relates to a synthesis method of epinastine hydrochloride. The method comprises the following steps: reacting phthalic anhydride with aniline to obtain a compound 1, reacting the compound 1 with polyphosphoric acid under certain conditions to perform cyclization to obtain a compound 2, reducing carbonyl of the compound 2 under certain conditions to obtain a compound 3, and carrying out chlorination reaction on the compound 3 to obtain a compound 4, carrying out cyano substitution reaction on the compound 4 to obtain a compound 5, reducing the compound 5 by using a carbon-nitrogenunsaturated bond to obtain a compound 6, reacting the compound 6 with cyanogen bromide, and forming hydrochloride by using hydrochloric acid to obtain a compound 7; according to the method, the epinastine hydrochloride is prepared from bulk chemical products, is extremely low in price and mild in reaction condition, avoids the use of azide compounds, and the method is suitable for large-scale industrial production. The prepared epinastine hydrochloride is high in purity and low in cost, and has higher market competitiveness.