ChemicalBook > CAS DataBase List > 2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

Product Name
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CAS No.
132813-14-0
Chemical Name
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Synonyms
BlonserinImpurity14;Blonanserin Impurity 14;Blonanserin Intermediate;Blonanserin Impurity INT2;2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10...;2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[...;2-CHLORO-4-(4-FLUOROPHENYL)-5H,6H,7H,8H,9H,10H-CYCLOOCTA[B]PYRIDINE;2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocyclooctapyridine;2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine;Cycloocta[b]pyridine, 2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
CBNumber
CB12510010
Molecular Formula
C17H17ClFN
Formula Weight
289.77
MOL File
132813-14-0.mol
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2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine Property

Melting point:
137-140°C
Boiling point:
414.7±45.0 °C(Predicted)
Density 
1.175
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
Chloroform (Slightly), Methanol (Slightly, Heated)
pka
1.49±0.20(Predicted)
form 
Solid
color 
Off-White
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
C374775
Product name
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Packaging
1g
Price
$345
Updated
2021/12/16
TRC
Product number
C374775
Product name
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Packaging
5g
Price
$985
Updated
2021/12/16
Matrix Scientific
Product number
089900
Product name
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Purity
95+%
Packaging
1g
Price
$341
Updated
2021/12/16
Matrix Scientific
Product number
089900
Product name
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Purity
95+%
Packaging
5g
Price
$908
Updated
2021/12/16
AK Scientific
Product number
6009AA
Product name
Blonanserinintermediate
Packaging
25mg
Price
$198
Updated
2021/12/16
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2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine Chemical Properties,Usage,Production

Uses

2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine is an intermediate in the synthesis of Blonanserin (B595850), a 5-HT2 serotonin receptor and D2 dopamine receptor antagonist, used as an antipsychotic.

Synthesis

132812-72-7

132813-14-0

General procedure for the synthesis of 2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine from 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine as 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine: 80.0 g of 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b] Pyridin-2(1H)-one was dissolved in 520 mL of dimethylformamide and cooled to 5 °C. Under stirring, 36.84 g of phosphorus pentachloride was added in 10 portions. After addition, the temperature of the reaction system was raised to 15 °C and the reaction was continued for 3 hours. Upon completion of the reaction, 520 mL of purified water was added to the reaction mixture and stirred at 10 °C for 1 hour. The reaction solution was filtered using a Brinell funnel (Coors), the precipitated crystals were collected and the filter cake was washed with 300 mL of purified water. The resulting crystals were dried at 70 °C to afford 80.0 g of off-white 2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine in 93.6% yield.

References

[1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 4, p. 1055 - 1059
[2] Patent: KR2015/117123, 2015, A. Location in patent: Paragraph 0046; 0047; 0048
[3] Patent: , 2016, . Location in patent: Paragraph 0026; 0027; 0028; 0029
[4] Asian Journal of Chemistry, 2014, vol. 26, # 18, p. 5928 - 5930
[5] Patent: JP2018/43989, 2018, A. Location in patent: Paragraph 0136-0138

2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine Preparation Products And Raw materials

Raw materials

Preparation Products

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2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine Suppliers

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Pure Chemistry Scientific Inc.
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View Lastest Price from 2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 132813-14-0
Price
US $0.10/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
1000 tons
Release date
2020-04-27
Shaanxi Dideu Medichem Co. Ltd
Product
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 132813-14-0
Price
US $0.00-0.00/KG
Min. Order
100g
Purity
99%+
Supply Ability
10 tons
Release date
2019-12-27
Shaanxi Dideu Medichem Co. Ltd
Product
2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 132813-14-0
Price
US $0.00-0.00/Kg
Min. Order
1KG
Purity
99.0%+
Supply Ability
100 tons
Release date
2020-01-15

132813-14-0, 2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridineRelated Search:

Blonanserin Impurity 20 Blonanserin Impurity 21 Blonanserin Impurity 7 Blonanserin Impurity 10 Blonanserin Impurity 13 Blonanserin Impurity 10 Blonanserin Impurity 16 Blonanserin Impurity 19 Blonanserin Impurity 15 Blonanserin iMpurity Blonanserin Impurity 24 Blonanserin Impurity 23 Blonanserin N-Oxide Blonanserin Impurity 8 Blonanserin Impurity I Blonanserin Impurity 11

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  • 2-Chloro-4-(4-fluorophenyl)-5,6,7,8,9,10...
  • Blonanserin Intermediate
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  • BlonserinImpurity14
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  • Blonanserin Impurity INT2
  • 132813-14-0
  • C17H17ClFN