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[6-Chloro-2-methyl-dibenzo[b,e]azepin-(11E)-ylidene]-acetonitrile is a complex organic chemical compound with the molecular formula C16H12ClN. It is characterized by a dibenzoazepine core, which is a fused ring system consisting of two benzene rings and a seven-membered nitrogen-containing ring. The compound features a chloro substituent at the 6-position and a methyl group at the 2-position. The (11E)-ylidene functional group indicates the presence of a double bond between carbons 11 and 12, with the ylidenic carbon bearing a positive charge. This molecule is further modified by the presence of an acetonitrile group, which is a cyano group (-CN) attached to an ethyl group. This chemical is known for its potential applications in the synthesis of pharmaceuticals and other organic compounds, particularly those with psychotropic properties.

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  • 77047-20-2 Structure
  • Basic information

    1. Product Name: [6-Chloro-2-methyl-dibenzo[b,e]azepin-(11E)-ylidene]-acetonitrile
    2. Synonyms:
    3. CAS NO:77047-20-2
    4. Molecular Formula:
    5. Molecular Weight: 278.741
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 77047-20-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: [6-Chloro-2-methyl-dibenzo[b,e]azepin-(11E)-ylidene]-acetonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: [6-Chloro-2-methyl-dibenzo[b,e]azepin-(11E)-ylidene]-acetonitrile(77047-20-2)
    11. EPA Substance Registry System: [6-Chloro-2-methyl-dibenzo[b,e]azepin-(11E)-ylidene]-acetonitrile(77047-20-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 77047-20-2(Hazardous Substances Data)

77047-20-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 77047-20-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,7,0,4 and 7 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 77047-20:
(7*7)+(6*7)+(5*0)+(4*4)+(3*7)+(2*2)+(1*0)=132
132 % 10 = 2
So 77047-20-2 is a valid CAS Registry Number.

77047-20-2Downstream Products

77047-20-2Relevant articles and documents

Tricyclic epines. Novel (E)- and (Z)-11H-dibenz[b,e]azepines as potential central nervous system agents. Variation of the basic side chain

Steiner,Franke,Hadicke,Lenke,Teschendorf,Hofmann,Kreiskott,Worstmann

, p. 1877 - 1888 (1986)

The synthesis and pharmacological activity of new (E),(Z)-[6-(alkylamino)-11H-dibenz[b,e]azepin-11-ylidene]- acetonitriles 12-45 and (E),(Z)-[6-(aminoalkoxy)-11H-dibenz[b,e]azepine-11-ylidene]acetonitriles 46-51 are described. The introduction of the cyanomethylene group into the 11-position of the 11H-dibenz[b,e]azepine framework has been carried out by a Wittig-Horner reaction under mild conditions. The (E),(Z) isomers were separated by fractional crystallization, assignment being achieved by X-ray analysis. A number of (E),(Z)-[6-(alkylamino)-11H-dibenz[b,e]azepin-11-ylidene]acetonitriles (12, 14, 16, 20) show potent neuroleptic activity (2-7 times that of clozapine) in animal tests. The screening included tests for sedative and anticholinergic activity in mice, apomorphine and tryptamine antagonism in rats, and muscle-relaxing activity in rabbits. The divergence in the activity profile in the case of the separated (E),(Z) isomers has been observed as an interesting new aspect: the (Z) isomers show a significantly higher sedative and muscle-relaxant activity, whereas the (E) isomers possess a higher anticholinergic efficacy and somewhat greater apomorphine antagonism. Broad changes in the basic side chain were made in order to investigate structure-activity relationships. The important geometrical parameters for the molecules, obtained by X-ray analysis, were compared with the corresponding features in dopamine agonists and antagonists.

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