3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

Basic Information

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CAS Number

189954-96-9

Molecular Formula

C17H20O5S

Molecular Weight

336.41 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

Basic Physical Properties

Melting Point

78-80°C

Boiling Point

563.9°C at 760 mmHg

Flash Point

294.8°C

Refractive Index

1.584

Vapor Pressure

0.0±1.5 mmHg at 25°C

SMILES

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CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3

InChIKey

FULAPETWGIGNMT-UHFFFAOYSA-N

LogP

2.563200000000001

Topological Polar Surface Area

69.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

614

Safety Information

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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

Synonyms & References

English

Equioxx Oral Paste
FIROCOXIB [MI]
Previcox Chewable Tablets
NCGC00389572-02
CS-3419
C73637
AC-33540
AS-73802
ML-1,785,713
2(5H)-Furanone, 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-
SR-01000872758-1
Pharmakon1600-01504526
BDBM50080082
UNII-Y6V2W4S4WT
AKOS027326072
Y6V2W4S4WT
Equioxx Injection
ML 1785713
Firocoxib for Horses
SBI-0206717.P001
HMS3264G15
FIROCOXIB [USAN]
CHEMBL69998
NSC 758895
FIROCOXIB (MART.)
C18363
NSC758895
3-(cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2(5H)-one
NCGC00389572-01
J-012265
3-(CYCLOPROPYLMETHOXY)-5,5-DIMETHYL-4-[4-(METHYLSULFONYL)PHENYL]-2(5H)-FURANONE

MDL Number

MFCD09837800

FAQ

What regulatory guidelines apply to 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9)?

3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9) falls under various regulatory guidelines. It must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labeling. In the EU, it is regulated under REACH, requiring registration and notification of the substance. For FDA and EPA, it may be subject to specific toxicological and environmental evaluation as part of regulatory compliance.

Are there alternatives to 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9) in synthesis?

Alternatives to 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9) include similar compounds with analogous structures. Common alternatives may include other furanones or derivatives with similar functional groups. These alternatives can provide similar reactivity and properties but may differ in synthesis steps, reagents, and yield efficiency.

What is the market or research trend for 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9)?

The market and research trends for 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9) suggest a growing interest in its applications in pharmaceuticals and agrochemicals due to its unique chemical properties. Research is focusing on its potential in drug development and as an intermediate in the synthesis of other complex molecules. Additionally, the trend indicates a rising demand for sustainable and eco-friendly synthesis methods.

How should waste containing 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9) be handled?

Waste containing 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone (CAS: 189954-96-9) should be collected in appropriate storage containers and labeled for hazardous waste. It must be disposed of through an authorized waste disposal service that handles hazardous chemicals. Incineration is a common method, but ensure it is conducted in a way that minimizes environmental impact. Environmental protection measures include neutralizing any acidic or basic residues before disposal.