5H-Dibenzo[a,d]cycloheptene

Base Information

• Chemical Name: 5H-Dibenzo[a,d]cycloheptene
• CAS No.: 256-81-5
• Molecular Formula: C15H12
• Molecular Weight: 192.26
• Hs Code.: 2902909500
• European Community (EC) Number: 205-969-5
• UNII: SU01RRM3KE
• DSSTox Substance ID: DTXSID60180276
• Nikkaji Number: J79.550J
• Wikidata: Q27116542
• Metabolomics Workbench ID: 55172
• ChEMBL ID: CHEMBL1256340
• Mol file: 256-81-5.mol

Synonyms:dibenzocycloheptatriene

Chemical Property of 5H-Dibenzo[a,d]cycloheptene

Chemical Property:

• Vapor Pressure: 0.000536mmHg at 25°C
• Melting Point: 46 °C
• Boiling Point: 322.1°Cat760mmHg
• Flash Point: 155.2°C
• PSA: 0.00000
• Density: 1.085g/cm³
• LogP: 3.76120
• Storage Temp.: Amber Vial, Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 192.093900383
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

99%, ^*data from raw suppliers

5H-Dibenzo[a,d]cycloheptene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C=CC3=CC=CC=C31
• Uses: 5H-Dibenzo[a,d]cycloheptene was used in the synthesis of cyclotribenzylenes. Also functions as a calmodulin inhibitor affecting various crucial cellular processes.

Technology Process of 5H-Dibenzo[a,d]cycloheptene

There total 51 articles about 5H-Dibenzo[a,d]cycloheptene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

dibenzosuberenon (2222-33-5) → suberene (256-81-5)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In tetrahydrofuran; diethyl ether;

DOI:10.1055/s-2002-23541

Reference yield: 95.0%

C15H10(2-)*2K(1+) → suberene (256-81-5) + 5,5'-bi(5H-dibenzocycloheptenyl) (15224-49-4)

Guidance literature:

With oxygen; at -78 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.3390/molecules25204742

Reference yield: 90.0%

5-<(10,11-dihydro-5H-dibenzocyclohepten-5-yl)oxy>-10,11-dihydro-5H-dibenzocycloheptene (83693-20-3) → suberene (256-81-5) + 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-one (1210-35-1)

Guidance literature:

With iodine; In neat (no solvent); at 85 ℃; for 0.25h;

DOI:10.1039/c3ob27267b

upstream raw materials:

5H-dibenzo[a,d]cyclohepten-3-ylamine

5-diazo-10,11-dihydro-5H-dibenzo[a,d]cycloheptene

5,5-Dideuterio-5H-dibenzocycloheptene

9-hydroxymethyl-9,10-dihydroanthracene

Downstream raw materials:

dibenzosuberane

dibenzosuberenon

anthracene

9-methylanthracene

Refernces

Chemistry and pharmacology of 5-methylene-4-substituted dibenzo(a,d)cycloheptenes.

10.1021/jm00292a024

The research focuses on the synthesis and pharmacological evaluation of a series of 5-methylene-4-substituted dibenzo[a,d]cycloheptenes. The primary purpose of the study was to investigate the structural requirements for antidepressant activity by examining compounds with varying lengths of basic side chains attached to the 4 position of the dibenzo[a,d]cycloheptene nucleus. The researchers utilized a variety of chemical methods, including the Hofmann degradation and the Gadamer-Knoch modification of the von Braun degradation, to synthesize these compounds. The study concluded that the presence of a C4-C5 trigonal center and a basic side chain at the 4 position alone were insufficient for retaining amitriptyline-like antidepressant activity, suggesting that additional structural features are necessary for such effects.

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