8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
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![8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2d370db0b3754a318c600e3c28423872.png "8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one")
8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
structure -
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CAS No:
31251-41-9
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Formula:
C14H10ClNO
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Chemical Name:
8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
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Synonyms:
11H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-one,8-chloro-5,6-dihydro-;8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
- Categories:
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CAS No:
8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one Basic Attributes
243.69
243.69
700-257-5
Y8MA5G8500
DTXSID40185183
2933990090
Characteristics
30
3.5
Yellow solid
1.313g/cm3
93.0 °C @ Solvent: Hexane
433.614°C at 760 mmHg
216ºC
1.632
-20°C Freezer
Safety Information
NONH for all modes of transport
Xi
P264, P270, P273, P280, P301+P312, P302+P352, P312, P322, P330, P363, P391, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 105 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one Use and Manufacturing
The title compound of Step C (10 g) above was dissolved in trifluorosulfonic acid (80 ml) and stirred at 60To a solution of 2 g (4.2 mmol) of the product of Step 3 in 20 mL of THF at -78°C was added dropwise 2.52 mL of 2.0 n-BuLi (5.0 mmol) in cyclohexane. The mixture was stirred at -78°C for 10 min. and quenched with 30 mL of saturated NH4Cl. The quenched solution was extracted with 2 X 50 mL of EtOAc. The combined extract was washed with brine, dried over MgSO4 and concentrated. The residue was passed through silica gel, eluting with hexane/EtOAc (6:4) to give 1.02 g (78percent) of the title compound. 1H NMR (CDCl3): δ 8.60 (dd, J = 4.6, 1.5 Hz, 1H), 7.95 (d, J = 8.5 Hz, 1H), 7.55 (dd, J = 7.7, 1.5Hz, 1H), 7.29 (dd, J = 7.7, 4.6 Hz, 1H), 7.24 (dd, J = 8.5, 2.0 Hz, 1H), 7.17 ( d, J = 2.0, 1H), 3.15-3.20 (m, 4H). 13C NMR (CDCl3): b 194.1, 155.3, 149.4, 143.9, 139.6, 138, 2, 137.4, 136.4, 133.6, 130.3, 127.9, 126.8, 35.2, 33.1.
Loratadine intermediate.Loratidine impurity C.
Computed Properties
Molecular Weight:243.69
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Exact Mass:243.0450916
Monoisotopic Mass:243.0450916
Topological Polar Surface Area:30
Heavy Atom Count:17
Complexity:307
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
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