Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate | CAS No. 161798-03-4

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Basic Information

CAS Number

161798-03-4

Molecular Formula

C18H21NO4S

Molecular Weight

347.44 g/mol

AD

Basic Physical Properties

Melting Point

162-165°C

Boiling Point

495.9 ºCat 760 mmHg

Flash Point

495.9 ºCat 760 mmHg

Refractive Index

1.566

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C=O)C

InChI

InChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H3

InChIKey

AIQMFFCWDAIGNV-UHFFFAOYSA-N

LogP

4.142520000000003

Topological Polar Surface Area

65.49 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

431

Safety Information

View Safety Information

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

Synonyms & References

English

  • Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
  • 5-Thiazolecarboxylic acid, 2-(3-formyl-4-(2-methylpropoxy)phenyl)-4-methyl-, ethyl ester
  • AIQMFFCWDAIGNV-UHFFFAOYSA-N
  • 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester
  • Ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
  • 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
  • 5-Thiazolecarboxylicacid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
  • Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
  • MFCD13194811
  • AC-5910
  • AM20090756
  • EC 700-743-7
  • AS-19561
  • AKOS005145710
  • FT-0659111
  • 5-Thiazolecarboxylic acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
  • NS00008294
  • SCHEMBL457516
  • C73087
  • Q-103513
  • BCP23185
  • ethyl 2-[3-formyl-4-(2-methyl propoxy)phenyl]-4-methyl-5-thiazolcarboxylate
  • DTXSID90447849
  • 161798-03-4
  • A3589
  • 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-Thiazolecarboxylic acid ethyl ester
  • Ethyl-2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate
  • Febuxostat Intermediate III
  • ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
  • Febuxostat Impurity G
  • Febuxostat Impurity 2

MDL Number

MFCD13194811

Customs Code

2934100090

FAQ

What is Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4)?

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4) is a thiazole derivative with the chemical formula C17H22N2O5S. It is a white to off-white solid with a molecular weight of approximately 350.43 g/mol. The compound contains a formyl group, an isobutoxyphenyl ring, and a thiazole ring, making it a valuable intermediate in organic synthesis. Its structure suggests potential applications in pharmaceutical and chemical industries.

What are the main uses of Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4)?

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4) is primarily used as a chemical intermediate in the synthesis of pharmaceutical compounds, particularly those with biological activity. It may also find applications in research and development for drug discovery, agrochemicals, and materials science due to its functional groups and structural versatility. Its use in industrial applications is still under investigation.

Is Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4) safe?

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4) is generally considered safe when handled properly. However, it is advisable to follow standard safety protocols, such as using personal protective equipment (PPE) and working in a well-ventilated area. Limited toxicity data is available, but as with many organic compounds, it is recommended to avoid prolonged exposure and follow OSHA guidelines for chemical handling.

How should Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4) be stored?

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 161798-03-4) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture and light. Proper storage helps prevent degradation and ensures the compound remains effective for its intended use.

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