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31251-41-9

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Basic Information
CAS No.: 31251-41-9
Name: 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
Article Data: 13
Molecular Structure:
Molecular Structure of 31251-41-9 (8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one)
Formula: C14H10ClNO
Molecular Weight: 243.692
Synonyms: 8-Chloro-10,11-dihydro-4-aza-5H-dibenzo[a,d]cycloheptan-5-one;
EINECS: 700-257-5
Density: 1.314 g/cm3
Melting Point: 90-92 °C
Boiling Point: 433.614 °C at 760 mmHg
Flash Point: 216.042 °C
Appearance: Yellow solid
Hazard Symbols: IrritantXi
PSA: 29.96000
LogP: 3.06460
Related products
Synthetic route
31255-57-9

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

31251-41-9

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

Conditions
ConditionsYield
Stage #1: 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile With trifluorormethanesulfonic acid at 60℃; for 1h;
Stage #2: With hydrogenchloride In water at 20℃; for 1h; Heating / reflux;		94%
With PPA at 200℃;45%
With PPA Heating;
251353-79-4

3-[2-(5-chloro-2-iodo-phenyl)-ethyl]-pyridine-2-carboxylic acid methyl-phenyl-amide

31251-41-9

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

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; cyclohexane at -78℃; for 0.166667h;91%
With n-butyllithium In tetrahydrofuran; cyclohexane at -78℃; for 0.166667h;78%

C14H11ClN2

31251-41-9

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

Conditions
ConditionsYield
With water at 0 - 35℃; for 25 - 35h;76.4%

C14H11Cl2NO

31251-41-9

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

Conditions
ConditionsYield
With aluminum (III) chloride In carbon disulfide40%
15396-37-9

2-iodoyl-3,5-dichlorobenzoic acid

31251-41-9

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

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: 121 g / (MeO)3B; BH3*Me2S / tetrahydrofuran / 18 h / 20 °C
2.1: PPh3; Br2 / acetonitrile / 1 h / 20 °C
3.1: LDA; t-BuOMe / various solvent(s); tetrahydrofuran / -30 - 0 °C
4.1: NaH / dimethylformamide / 1 h / 0 °C
4.2: 10 g / dimethylformamide / 0.25 h / 0 °C
5.1: 91 percent / n-BuLi / tetrahydrofuran; cyclohexane / 0.17 h / -78 °C
View Scheme
82386-90-1

5-chloro-2-iodobenzyl alcohol

31251-41-9

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

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: PPh3; Br2 / acetonitrile / 1 h / 20 °C
2.1: LDA; t-BuOMe / various solvent(s); tetrahydrofuran / -30 - 0 °C
3.1: NaH / dimethylformamide / 1 h / 0 °C
3.2: 10 g / dimethylformamide / 0.25 h / 0 °C
4.1: 91 percent / n-BuLi / tetrahydrofuran; cyclohexane / 0.17 h / -78 °C
View Scheme
82386-91-2

2-(bromomethyl)-4-chloro-1-iodobenzene

31251-41-9

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: LDA; t-BuOMe / various solvent(s); tetrahydrofuran / -30 - 0 °C
2.1: NaH / dimethylformamide / 1 h / 0 °C
2.2: 10 g / dimethylformamide / 0.25 h / 0 °C
3.1: 91 percent / n-BuLi / tetrahydrofuran; cyclohexane / 0.17 h / -78 °C
View Scheme
251353-78-3

3-[2-(5-chloro-2-iodo-phenyl)-ethyl]-pyridine-2-carboxylic acid phenylamide

31251-41-9

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: NaH / dimethylformamide / 1 h / 0 °C
1.2: 10 g / dimethylformamide / 0.25 h / 0 °C
2.1: 91 percent / n-BuLi / tetrahydrofuran; cyclohexane / 0.17 h / -78 °C
View Scheme
32998-95-1

N-tert-butyl-3-methylpyridine-2-carboxamide

31251-41-9

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1.) n-BuLi / 1.) THF, -40 deg C
2: POCl3 / Heating
3: PPA / Heating
View Scheme
107285-30-3

3-<2-(3-chlorophenyl)ethyl>-N-(1,1-dimethylethyl)-2-pyridinecarboxamide

31251-41-9

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: POCl3 / Heating
2: PPA / Heating
View Scheme
Raw Materials
15396-37-9
620-20-2
32998-95-1
107285-30-3
31255-57-9
10026-13-8
82386-90-1
7440-44-0
Downstream Products
38092-89-6
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Chemistry

Molecular structure of 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (CAS NO.31251-41-9) is:

Product Name: 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
CAS Registry Number: 31251-41-9
Systematic Name: 8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
Empirical Formula: C14H10ClNO
Molecular Weight: 243.6883
Melting Point: 90-92°C
Index of Refraction: 1.632
Molar Refractivity: 66.136 cm3
Molar Volume: 185.481 cm3
Surface Tension: 53.838 dyne/cm
Density: 1.314 g/cm3
Flash Point: 216.042 °C
Enthalpy of Vaporization: 68.959 kJ/mol
Boiling Point: 433.614 °C at 760 mmHg
Product Categories: Aromatics Compounds;Aromatics;Heterocycles;Intermediates

Uses

 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one (CAS NO.31251-41-9) can be used as loratadine intermediate.

Safety Profile

Hazard Codes: IrritantXi

Specification

 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one , its cas register number is 31251-41-9. It also can be called 8-Chloro-10,11-Dihydro-4-Aza-5h-Dibenzo-(A,D)Cycloheptan-5-One ; 8-Chloro-5,6-Dihydro-11h-Benzo-(5,6)-Cyclohepta-(1,2-B)-Pyrimidine-11-On ; 8-Chloro-10,11-dihydro-4-aza-5 ; 4-Aza-8-chloro-10,11-dihydro-5H-benzo[a,d]cyclo-5-heptanone .It is a yellow solid.