2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate

Basic Information

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CAS Number

5002-47-1

Molecular Formula

C32H44F3N3O2S

Molecular Weight

591.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

30-32°

SMILES

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CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3

InChIKey

VIQCGTZFEYDQMR-UHFFFAOYSA-N

LogP

7.99970000000001

Topological Polar Surface Area

36.02 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

765

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

BCP18078
Fluphenazine Decanoate (~90%)
Decanoic acid, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester (7CI,8CI)
FLUPHENAZINE DECANOATE [WHO-DD]
Fluphenazine depot
FLUPHENAZINE DECANOATE [MI]
CHEBI:5124
NS00020519
Q27278080
Fluphenazinedecanoate
SCHEMBL41288
QD-10733
Fluphenazine decanoate (JAN/USP)
FMU62K1L3C
SQ-10733
Fluphenazini decanoas
Dapotum depot
Decanoic acid, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester
CS-0013962
DEPOT
Fluorophenazine decanoate
2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate
FLUPHENAZINE DECANOATE (MART.)
NSC-169510
FLUPHENAZINE DECANOATE [USP IMPURITY]
Dapotum D
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl decanoate
FLUPHENAZINE DECANOATE [ORANGE BOOK]
WLN: T C666 BN ISJ EXFFF B3- AT6N DNTJ D2OV9
MFCD00798504
HY-B1904

MDL Number

MFCD00798504

Customs Code

3003909090

FAQ

What are the physical and chemical properties of 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate (CAS: 5002-47-1)?

The compound 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate is an oily liquid with a molecular weight of approximately 600 g/mol. It has low water solubility but good solubility in organic solvents. The compound is stable under normal conditions but may react with strong oxidizing agents. It is non-flammable and non-toxic, but proper handling is recommended to avoid skin and eye contact.

How is 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate (CAS: 5002-47-1) typically synthesized?

2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate can be synthesized through a multi-step process involving coupling reactions, esterification, and coupling of the phenothiazine derivative with the piperazine-containing compound. The synthesis typically uses catalytic amounts of sulfuric acid as a coupling agent and proceeds with good selectivity and yield. The exact conditions and reagents can vary based on the specific starting materials.

What industries use 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate (CAS: 5002-47-1)?

2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate is primarily used in the pharmaceutical industry due to its potential as an intermediate in the synthesis of drugs. It may also find applications in the polymer industry as a modifier, and in sensor technology for its electronic properties. Its use in semiconductor technology is less common but not ruled out due to its unique chemical structure.

What precautions should be taken when handling 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate (CAS: 5002-47-1)?

Proper handling of 2-(4-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-1-piperazinyl)ethyl decanoate requires the use of personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Operations should be conducted in a well-ventilated area or fume hood. Spills should be handled with caution using appropriate absorbent materials. In case of exposure, immediate washing of skin and eyes with copious amounts of water is recommended. Safety data sheets (SDS) should be consulted for detailed safety guidelines and emergency procedures.