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11H-dibenzo[b,f]oxepin-10-one is a chemical compound with the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. It is a tricyclic aromatic compound belonging to the class of oxepines, which are seven-membered heterocyclic compounds containing one oxygen atom. This specific compound features a dibenzo structure, where two benzene rings are fused together, and an oxepin ring, which is the seven-membered ring containing the oxygen atom. 11H-dibenzo[b,f]oxepin-10-one is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. It is typically synthesized through various chemical reactions, such as the condensation of phenols with aldehydes or ketones, and can be further functionalized to create a range of derivatives with different properties and applications.

5024-70-4

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5024-70-4 Usage

Class

Dibenzoxepins

Type of compound

Tricyclic compound

Unique molecular structure

Yes

Potential applications

Pharmaceutical and industrial

Therapeutic agent

Studied for potential use in treating various diseases and conditions

Organic synthesis

Investigated for use in organic synthesis

Building block

Used as a building block for the synthesis of other chemical compounds

Field of interest

Chemistry and pharmaceutical research

Structure

Consists of two benzene rings fused to an oxepin ring

Functional groups

Contains a ketone group (C=O) at the 10-position

Check Digit Verification of cas no

The CAS Registry Mumber 5024-70-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,2 and 4 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5024-70:
(6*5)+(5*0)+(4*2)+(3*4)+(2*7)+(1*0)=64
64 % 10 = 4
So 5024-70-4 is a valid CAS Registry Number.

5024-70-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 11H-dibenzo[b,f]oxepin-10-one

1.2 Other means of identification

Product number -
Other names 10,11-dihydro-10-oxodibenz[b,f]oxepin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5024-70-4 SDS

5024-70-4Upstream product

5024-70-4Relevant academic research and scientific papers

Carbanionic friedel-crafts equivalents. Regioselective directed Ortho and remote metalation-C-N cross coupling routes to acridones and dibenzo[b,f]azepinones

MacNeil, Stephen L.,Gray, Matthew,Gusev, Dmitry G.,Briggs, Laura E.,Snieckus, Victor

supporting information; experimental part, p. 9710 - 9719 (2009/04/07)

(Chemical Equation Presented) Carbanion-mediated general regioselective routes to acridones 4 (Table 2) and dibenzo[b,f]azepinones 20 (Table 4) are described. Buchwald-Hartwig C-N cross coupling of o-halo benzamides 1 with anilines 2 or 16, followed by simple N-methylation, dependably provides N-methyl diarylamines 3 (Table 1) and 18 (Table 3). Upon treatment with LDA, 3 and 18 are converted into acridones 4 and dibenzo[b,f]azepinones 20, respectively, in good to excellent yields with regioselectivity which depends upon the presence or absence of directed metalation groups (DMGs). Brief investigations as follows are described: the synthesis of desmethyl acridone 15 (Scheme 4), an attempt to effect a double-directed remote metalation sequence which leads only to a monocyclization product 13 (Scheme 3), and an analogous but nonregioselective route to a xanthone 22 and dibenzo[b,f]oxepinone 24 (Scheme 5). DFT calculations reveal low energy conformations for compounds 18b and 23 which account for product formation and indicate that the cyclization reactions are under kinetic control.

Intramolecular Anionic Friedel-Crafts Equivalents. A General Regiospecific Route to Substituted and Naturally Occurring Xanthen-9-ones

Familoni,Ionica, Ileana,Bower, Justin F.,Snieckus, Victor

, p. 1081 - 1083 (2007/10/03)

An LDA-induced regiospecific and general conversion of diaryl ether 2-carboxamides 4 into substituted xanthones 5, including natural products, 2-hydroxy-1-methoxyxanthone (8) and 6-deoxyjacareubin (14), is described.

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