39654-52-9 Usage
Description
10,11-DIBROMO-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE is a chemical compound belonging to the dibenzocycloheptadiene class. It is characterized by its unique molecular structure, which features a cycloheptenone ring fused with a benzene ring and two bromine atoms at the 10 and 11 positions. 10,11-DIBROMO-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE has potential applications in various fields due to its chemical properties and reactivity.
Uses
Used in Pharmaceutical Industry:
10,11-DIBROMO-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE is used as an intermediate in the synthesis of 10-Hydroxy (E)-Amitriptyline (D462790), which is a dibenzocycloheptadiene derivative with antidepressant properties. It plays a crucial role in the development of new medications for the treatment of depression and other mood disorders.
Used in Metabolite Research:
10,11-DIBROMO-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE is also a metabolite of amitriptyline (A633350), a widely used antidepressant. Understanding the metabolic pathways and effects of 10,11-DIBROMO-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE can provide valuable insights into the pharmacokinetics and pharmacodynamics of amitriptyline, potentially leading to improved drug formulations and treatment strategies.
Used in Environmental Protection:
10,11-DIBROMO-10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-ONE is listed as a drinking water contaminant candidate on the United States Environmental Protection Agency (EPA) CCL 3. This listing highlights the importance of monitoring and controlling the presence of this compound in drinking water sources to ensure public health and safety.
Check Digit Verification of cas no
The CAS Registry Mumber 39654-52-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,6,5 and 4 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 39654-52:
(7*3)+(6*9)+(5*6)+(4*5)+(3*4)+(2*5)+(1*2)=149
149 % 10 = 9
So 39654-52-9 is a valid CAS Registry Number.
InChI:InChI=1/C15H10Br2O/c16-13-9-5-1-3-7-11(9)15(18)12-8-4-2-6-10(12)14(13)17/h1-8,13-14H
39654-52-9Relevant articles and documents
-
Walker,G.N.,Engle,A.R.
, p. 4294 - 4302 (1972)
-
Synthesis of 11,12-didehydrodibenzo[a,e]cycloocten-5(6H)-one: A strained eight-membered alkyne
Kornmayer, Stefan C.,Rominger, Frank,Gleiter, Rolf
experimental part, p. 2547 - 2552 (2009/12/25)
An eight-step synthesis of 11,12-didehydrodibenzo[ a,e]cycloocten-5(6H)-one (10) was developed. The structure of 10 was assigned by spectroscopic means and confirmed by X-ray analysis of its 2,4-dinitrophenylhydrazone derivative. Reaction of the triple bond of 10 with dicarbonyl(h5-cyclopentadienyl)cobalt or dicarbonyl(η5-pentamethylcyclopentadienyl)cobalt gave the corresponding metal-stabilized cyclobutadiene complexes. Georg Thieme Verlag Stuttgart.
Polycyclic phosphiranes: Synthesis of C-substituted BABAR-Phos compounds
Laeng, Florian B.,Gruetzmacher, Hansjoerg
, p. 187 - 190 (2007/10/03)
BABAR-Phos is a very stable polycyclic phosphirane which is easily synthesized in few steps from dibenzosuberenone. BABAR-Phos is remarkably stable and is not oxygenated with O2 nor does it react with sulfur in boiling toluene. BABAR-Phos can be used as a ligand in homogenous catalysis. Substituents at the carbon of the PC2 heterocycle can be introduced and asymmetric BABAR-Phos were prepared. The coordination chemistry of rhodium complexes containing these as ligands was investigated.
