2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride (1:1)

Basic Information

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CAS Number

3717-88-2

Molecular Formula

C24H26ClNO4

Molecular Weight

427.93 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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

234°C

Boiling Point

564.1 °C at 760 mmHg

Density

1.203

Flash Point

294.9 °C

Solubility

H2O: ~6.6 mg/mL

SMILES

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CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H

InChIKey

XOEVKNFZUQEERE-UHFFFAOYSA-N

LogP

4.832920000000005

Topological Polar Surface Area

59.75000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

631

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 i.v. in rats: 27.4 mg/kg (Cazzulani)

Synonyms & References

English

D00718
DTXSID1047784
BCP13298
F0717
Flavoxate hydrochloride
SW197005-3
NCGC00016636-01
2-(piperidin-1-yl)ethyl3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylatehydrochloride
Urispadol
EINECS 223-066-4
Flavoxate hydrochloride
HY-B0549A
Prestwick_884
NSC-114649
Flavoxate (hydrochloride)
J-521367
DW61
Rec-7-0040;DW61
CHEBI:5089
CCG-220242
Rec 7/0040
Rec-7-0040 HCl
2-Piperidinoethyl-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride
Tox21_110537
FT-0658191
1-(2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium chloride
2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride
Z2768134941
REC 7-0040
NSC 114649
EN300-123535

MDL Number

MFCD00072099

Customs Code

2934999090

FAQ

What is 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride (CAS: 3717-88-2)?

2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride is a chromone-based compound with the CAS number 3717-88-2. It is a white or off-white crystalline solid with a molecular formula of C23H26N2O4.HCl. This compound is characterized by its chromogenic properties and is used in various applications due to its structural and functional features.

What are the main uses of 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride (CAS: 3717-88-2)?

This compound is primarily used in pharmaceuticals as an intermediate for the synthesis of other medicinally active compounds. It also finds application in research for its chromogenic and fluorescence properties. Additionally, it may be used in analytical chemistry for its reactivity and in spectroscopic studies.

Is 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride (CAS: 3717-88-2) safe?

This compound is generally safe when handled with appropriate precautions. However, it is corrosive and may cause skin irritation. Proper protective measures such as gloves and eye protection should be worn during handling. It is important to follow standard safety protocols and refer to Material Safety Data Sheets (MSDS) for detailed information.

How should 2-(1-Piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride (CAS: 3717-88-2) be stored?

Store this compound in a cool, dry place away from direct sunlight and moisture. Use a sealed container to prevent hydrolysis and degradation. Maintain a temperature between 0°C to 25°C. Avoid exposure to heat and ensure proper ventilation to prevent the release of corrosive gases.