{2-Methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid

Basic Information

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CAS Number

317318-70-0

Molecular Formula

C21H18F3NO3S2

Molecular Weight

453.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

134-136°C

Boiling Point

584.5°C at 760 mmHg

Density

1.426

Flash Point

307.321 °C

Solubility

DMSO: soluble20mg/mL, clear

Refractive Index

1.619

SMILES

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OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(cc1)C(F)(F)F

InChI

InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)

InChIKey

YDBLKRPLXZNVNB-UHFFFAOYSA-N

LogP

6.201440000000004

Topological Polar Surface Area

59.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

572

Safety Information

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Hazard Statement

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

Stability

Light Sensitive

Synonyms & References

English

2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid
2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
Cardarine(GW501516, GSK-516)
GW-501615
CB6465728
2-(4-((2-(4-(Trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylthio)-2-methylphenoxy)acetic a
2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]acetic Acid
GW501516
GW-501516
CARDARINE
{2-Methyl-4-{{4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl}methylthio}phenoxy}acetic acid
2-(2-Methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)thio)phenoxy)acetic acid
2-(4-((2-(4-(trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylthio)-2-methylphenoxy)acetic acid
GW501516, cardarine
GW50156
2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)-5-(thiazolyl)methyl)thio)phenoxy)acetic acid
CHEBI:73726
Endurobol
ENDUROBOL (GW-501516)
GSK-516
GW1516
UNII-7I2HA1NU22
2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-acetic acid
Aceticacid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-(9CI)
2-(2-BROMOPHENYL)-3'-TRIFLUOROMETHYLACETOPHENONE
GW 501516
GW 1516

MDL Number

MFCD09033000

FAQ

What are the physical and chemical properties of (2-Methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy)acetic acid (CAS: 317318-70-0)?

The compound has a molecular weight of approximately 554.58 g/mol. It is a solid with a crystalline form. Solubility in water is low, around 0.1 g/L at 25°C. It shows moderate reactivity under basic conditions but is stable under neutral and acidic conditions. This compound is not flammable, but it can react with strong oxidizing agents.

How is (2-Methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy)acetic acid (CAS: 317318-70-0) typically synthesized?

The compound is synthesized using a multi-step reaction involving the coupling of a thiazole derivative with a phenol derivative, followed by acetylation. Common synthetic methods include the use of catalytic conditions with palladium complexes and base. The reaction yields are generally around 70-80%, with high selectivity for the desired product.

What industries use (2-Methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy)acetic acid (CAS: 317318-70-0)?

This compound is primarily used in the pharmaceutical industry for its potential as a therapeutic agent. It may also have applications in polymer chemistry for developing specialized materials, and in chemical sensor technology for its reactivity with specific analytes.

What precautions should be taken when handling (2-Methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy)acetic acid (CAS: 317318-70-0)?

When handling this compound, use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work within a fume hood to minimize inhalation risks. Spills should be handled using absorbent materials and cleaned up with caution. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.