1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone

Basic Information

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CAS Number

117796-52-8

Molecular Formula

C21H21ClN2O

Molecular Weight

352.87 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

546.9°Cat760mmHg

Density

1.257

Flash Point

284.5°C

Refractive Index

1.626

SMILES

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CC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1

InChI

InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3

InChIKey

FLTBEMVEAFMWDD-UHFFFAOYSA-N

LogP

4.277800000000004

Topological Polar Surface Area

33.2 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

536

Synonyms & References

English

Sch 37370
DTXSID10151911
N-Acetyldesloratadine; Piperidine, 1-acetyl-4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-???
ETHANONE, 1-(4-(8-CHLORO-5,6-DIHYDRO-11H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-YLIDENE)-1-PIPERIDINYL)-
Sch-37370
8-chloro-11-(1-acetyl-4-piperidylidene)-6,11-dihydro-5 H-benzo[5,6]cyclohepta[1,2-b]pyridine
Z3034437771
1-Acetyl-4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cycloheptal(1,2-b)pyridin-11-ylidine)piperidine
L024110
CHEMBL10971
N-Acetyldesloratadine
N-ACETYLDESLORATADINEN
CS-0064020
AKOS040744414
117796-52-8
HY-116120
1-(4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl)ethan-1-one
FLTBEMVEAFMWDD-UHFFFAOYSA-N
Q27088756
Piperidine, 1-acetyl-4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-
1-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidin-1-yl)ethan-1-one
ethanone, 1-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]-
BDBM50007473
Piperidine, 1-acetyl-4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridine-11-ylidene)-
1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone
GA60WRR45J
SCHEMBL3071641
RESPATADINE
8-chloro-11-(1-acetyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6] cyclohepta[1,2-b]pyridine
UNII-GA60WRR45J

MDL Number

MFCD00873685

FAQ

What regulatory guidelines apply to 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8)?

The compound 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8) falls under multiple regulatory frameworks. It is classified under the Globally Harmonized System (GHS) as a hazardous substance due to its potential toxicity. In the European Union, it must comply with REACH regulations, which require registration and assessment of its safety. In the United States, the compound is regulated by the FDA for pharmaceutical applications and by the EPA for environmental handling and disposal.

Are there alternatives to 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8) in synthesis?

Several alternatives can be considered in the synthesis of 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8). Common analogs include related piperidine derivatives and benzo-fused pyridine compounds. Isomers and other reagents like substituted chlorides or various piperidine rings can also be used as alternatives, depending on the desired properties and the reaction conditions.

What is the market or research trend for 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8)?

The market for 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8) is expected to grow as research in medicinal chemistry advances. There is a trend towards the development of new drugs and pharmaceuticals, particularly in the fields of anti-infectives and anti-cancer treatments. Price trends are influenced by the increasing demand and limited supply, while emerging research focuses on optimizing synthetic routes and improving the drug's efficacy and safety profile.

How should waste containing 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8) be handled?

Waste containing 1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]ethanone (CAS: 117796-52-8) should be handled with caution. It is crucial to collect the waste in appropriate containers and ensure proper labeling. For disposal, incineration is a common method, but professional waste disposal services are recommended due to the hazardous nature of the compound. Environmental protection measures include minimizing the release of the compound into the environment and following local and national regulations for waste management.