8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

Basic Information

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CAS Number

31251-41-9

Molecular Formula

C14H10ClNO

Molecular Weight

243.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Melting Point

103.0 to 107.0 deg-C

Boiling Point

433.6±45.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

216.0±28.7 °C

Refractive Index

1.632

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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C1CC2=C(C=CC(=C2)Cl)C(=O)C3=C1C=CC=N3

InChI

InChI=1S/C14H10ClNO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16-13(9)14(12)17/h1-2,5-8H,3-4H2

InChIKey

WMQNOYVVLMIZDV-UHFFFAOYSA-N

LogP

3.0646000000000013

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

307

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyrid-11-one
8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
CS-0022883
8-Chloro-10,11-dihydro-4-aza-5H-dibenzo[a,d]cycloheptan-5-one
Loratadine EP Impurity B
8-Chloro-5,6-dihydro-11H-benzo[5.6]cyclohepta[1,2-b]pyridin-11-one
AS-12268
13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
LORATADINE IMPURITY, 8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDIN-11-ONE- [USP IMPURITY]
Q27294379
SY053120
Loratadine Imp. B (EP); Loratadine USP Related Compound C; Loratadine USP RC C; 8-Chloro-5,6-dihydro-11H-benzo[5.6]cyclohepta[1,2-b]pyridin-11-one; Loratadine Related Compound C; Loratadine Impurity B
EN300-252115
8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one
MFCD00800222
Loratadine specified impurity B [EP]
8-Chloro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6H)-one
WMQNOYVVLMIZDV-UHFFFAOYSA-N
13-chloro-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
8-chloro-5,6-dihydro-11h-benzo [5,6]cyclohepta [1,2-b]pyrid-11-one
SCHEMBL3839936
8-Chloro-10,11-dihydro-4-aza-5H-dibenzo[a,d]cyclohepten-5-one
AKOS005067771
DTXSID40185183
C3181
UNII-Y8MA5G8500
EC 700-257-5
Loratadine impurity, 8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one- [USP]
11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-chloro-5,6-dihydro-
NS00002430
FT-0638960

MDL Number

MFCD00800222

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (CAS: 31251-41-9)?

8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one is a white to off-white crystalline solid with a molecular weight of approximately 252.04 g/mol. It has limited water solubility and is soluble in organic solvents like dichloromethane and ethanol. The compound is moderately reactive, especially under basic conditions, and may undergo ring-opening or substitution reactions.

How is 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (CAS: 31251-41-9) typically synthesized?

8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one can be synthesized through a multi-step process involving acylation, cyclization, and chlorination. Commonly, a pyridine derivative is first acylated, then cyclized to form the core structure, and finally chlorinated to introduce the chlorine substituent. The reaction conditions include the use of acylating agents like acid chlorides and bases such as sodium hydride.

What industries use 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (CAS: 31251-41-9)?

8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one is primarily used in the pharmaceutical industry for the development of medications, particularly in the synthesis of certain bioactive compounds. It may also find applications in the polymer industry for modifying the properties of polymers and in the field of sensors for its chemical reactivity.

What precautions should be taken when handling 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (CAS: 31251-41-9)?

When handling 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, it is important to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. The compound should be stored in a well-ventilated area, and fume hoods should be used during handling to avoid inhalation. Spills should be cleaned up immediately with appropriate absorbent materials and proper disposal methods. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage information.