3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

Basic Information

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CAS Number

106266-06-2

Molecular Formula

C23H27FN4O2

Molecular Weight

410.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

170.0 to 174.0 deg-C

Boiling Point

572.4℃/760mmHg

Flash Point

9℃(48.2℉)(lit.)

Solubility

DMSO: ≥5mg/mL

SMILES

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CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3

InChIKey

RAPZEAPATHNIPO-UHFFFAOYSA-N

LogP

3.5904200000000026

Topological Polar Surface Area

64.16 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

731

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in male, female mice, rats, dogs (mg/kg): 29.7, 26.9, 34.3, 35.4, 14.1, 18.3 i.v.; 82.1, 63.1, 113, 56.6, 18.3, 18.3 orally (Janssen, 1988)

Synonyms & References

English

3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one
3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)- 6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
Risperidone 1.0 mg/ml in Methanol
3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
AB00514010-09
GTPL96
RISPERIDONE [ORANGE BOOK]
NCGC00094352-01
R 64766
Tox21_110253
PERSERIS KIT
Risperidone [USAN:USP:INN:BAN]
AB00514010_14
NSC801188
Prestwick1_001029
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
MLS000759429
SR-01000075399-8
Risperidone (USAN:USP:INN:BAN)
L6UH7ZF8HC
RCN3028
NCGC00015883-04
HMS3393H07
Risperidone; 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl- (9CI); 1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv.; R 64766; Risperdal; Spiron
J-001555
3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
3-[2-[4(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl4H-pyrido[1,2-a]pyrimidin-4-one
3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Risperidone- Bio-X
3-(2-(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Okedi

MDL Number

MFCD00274576

Customs Code

2934999090

FAQ

What is 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 106266-06-2)?

3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 106266-06-2) is a complex organic compound containing a benzoxazole ring, a piperidine moiety, and a pyrimidine structure. Its chemical formula is C19H24FN3O3, and it is known for its stability in controlled environments. This compound is commonly used in pharmaceutical research for its potential biological activity.

What are the main uses of 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 106266-06-2)?

The compound is primarily utilized in pharmaceutical research as a key intermediate in the development of drugs targeting neurological disorders. It also finds applications in medicinal chemistry for synthesizing bioactive molecules and in chemical research for studying molecular interactions. Its versatility in drug design makes it relevant for both academic and industrial settings.

Is 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 106266-06-2) safe?

The compound is generally considered safe when handled according to standard safety protocols. However, it may exhibit mild irritant properties, necessitating protective measures like gloves and proper ventilation. Safety data sheets (SDS) should be consulted for detailed toxicity information, and adherence to OSHA guidelines is recommended to ensure safe usage in laboratories or industrial settings.

How should 3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (CAS: 106266-06-2) be stored?

This compound should be stored in a cool, dry place at temperatures below 25°C, away from direct light. Keep it in tightly sealed, airtight containers to prevent moisture exposure. Storage in a chemically inert environment is recommended to maintain stability. Avoid prolonged exposure to heat or humidity to preserve its integrity and ensure safety.