ChemicalBook > CAS DataBase List > 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

Product Name
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
CAS No.
84163-77-9
Chemical Name
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Synonyms
6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE HCL;Risperidone Impurity 27;Paliperidone Impurity B;Iloperidone Piperidine Impurity;6-Fluoro-3-(4-piperidinyl)benzisoxazole;Risperidone AMine IMpurity Hydrochloride;6 Fluoro-3-(4-piperid)-1,2-Benzisoxazole;6-fluoro-3-(4-piperidyl)-1,2-benzoxazole;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;6-Fluoro-3-(4-piperidinyl)-1,2-benzoxazole
CBNumber
CB4173973
Molecular Formula
C12H13FN2O
Formula Weight
220.24
MOL File
84163-77-9.mol
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6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Property

Melting point:
59-62°C
Boiling point:
359.0±42.0 °C(Predicted)
Density 
1.216±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
solubility 
Chloroform (Slightly), Methanol (Slightly)
pka
9.74±0.10(Predicted)
form 
Solid
color 
White to Off-White
Stability:
Hygroscopic
InChI
1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey
MRMGJMGHPJZSAE-UHFFFAOYSA-N
SMILES
Fc1ccc2c(noc2c1)C3CCNCC3
CAS DataBase Reference
84163-77-9(CAS DataBase Reference)
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Safety

Hazard Codes 
T
Risk Statements 
25-36/37/38
Safety Statements 
45-26
RIDADR 
UN 2811 6.1 / PGIII
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29349990
Storage Class
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H301Toxic if swalloed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P302+P352IF ON SKIN: wash with plenty of soap and water.

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

Sigma-Aldrich
Product number
758205
Product name
6-Fluoro-3-(4-piperidinyl)benzisoxazole
Purity
95%
Packaging
1g
Price
$28.3
Updated
2023/06/20
TCI Chemical
Product number
F0735
Product name
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$54
Updated
2026/03/19
TCI Chemical
Product number
F0735
Product name
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$221
Updated
2022/04/27
TRC
Product number
F595830
Product name
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Packaging
5g
Price
$185
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
10363
Product name
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
Packaging
5G
Price
$2000
Updated
2021/12/16
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6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Chemical Properties,Usage,Production

Chemical Properties

White Crystalline Powder

Uses

An Intermediate in the synthesis of risperidone and iloperidone.

Synthesis

135634-18-3

84163-77-9

The general procedure for the synthesis of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole from (2,4-difluorophenyl)-(4-piperidinyl)methanone oxime hydrochloride (5.52 g, 20 mmol) is as follows: The raw material was added to 25 mL of 50% potassium hydroxide solution and the reaction was carried out at reflux for 4 hours. After completion of the reaction, it was cooled to room temperature and extracted with toluene (25 mL × 2). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated to dryness under reduced pressure. The crude product was recrystallized in ether to give 3.3 g of the target product in 75% yield.

References

[1] Patent: EP2322520, 2011, A1. Location in patent: Page/Page column 16
[2] Patent: JP5714152, 2015, B2. Location in patent: Paragraph 0089

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Preparation Products And Raw materials

Raw materials

Acetic anhydride Formic acid Aluminum chloride Isonipecotic acid Dichloromethane Hydroxylamine hydrochloride Isopropyl alcohol Thionyl chloride 1,3-Difluorobenzene

Preparation Products

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6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Suppliers

Americas 1 Belgium 1 Canada 3 China 154 Europe 3 Germany 4 India 53 Japan 3 Slovakia 1 South Korea 1 Switzerland 1 The Netherlands 1 Ukraine 1 United Kingdom 5 United States 39 Global 271
J & K SCIENTIFIC LTD.
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86-10-82849933
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China
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View Lastest Price from 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole manufacturers

Shanghai CRM New Material Technology Co., LTD
Product
6-Fluoro-3-(4-piperidinyl)-1,2-benzoxazole 84163-77-9
Price
US $10.00-15.00/g
Min. Order
10g
Purity
99%
Supply Ability
10t
Release date
2022-09-22
Career Henan Chemical Co
Product
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole 84163-77-9
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000KGS
Release date
2020-01-02

84163-77-9, 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazoleRelated Search:

3-(4-Piperidinyl)-1,2-benzisoxazole Hydrochloride Iloperidone Diketo Impurity (2-FLUORO-PHENYL)-PIPERIDIN-4-YL-METHANONE Desfluoro Iloperidone (IMpurity) ILOPERIDONE DROPERIDOL Benperidol Haloperidol 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE HYDROCHLORIDE 6-phenyl-1H-pyrrolo[2,3-b]pyridine 5-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE Iloperidone Carboxylic Acid Ethanone, 1-(3-hydroxy-2-methoxyphenyl)- (9CI) Hydroxy Iloperidone (E)-4-(2,4-Difluorobenzoyl)piperidine OxiMe Iloperidone iMpurity Iloperidone Impurity 21 3-Piperidin-4-ylbenzo[d]isoxazole

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