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

Basic Information

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CAS Number

160844-75-7

Molecular Formula

C18H20N2O3S

Molecular Weight

344.4 g/mol

EINECS

927-913-5

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 Nitriles

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

Physical State

Powder

Melting Point

176 °C

Boiling Point

497.1°C at 760 mmHg

Density

1.22

Flash Point

254.467°C

Refractive Index

1.57

SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3

InChIKey

OGAZOYHQFBSRMC-UHFFFAOYSA-N

LogP

4.20168

pKa

1.02±0.10(Predicted)

Complexity

476

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

Sealed in dry,Room Temperature

Synonyms & References

English

SCHEMBL31601
Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
AC-5911
DTXSID901144416
EC 927-913-5
E1414
FT-0653024
5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
AKOS005145711
5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, ethyl ester
DS-13004
Ethyl 2-(3-Cyano-4-Isobutoxy Phenyl)-4-Methylthiazole-5-Carboxylate
ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
Febuxostat Ethyl Ester (2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester)
AM20090759
Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4- methylthiazole-5-
A3563
Ethyl2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
MFCD09833701
Q-103511
2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester; Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
NS00002362
OGAZOYHQFBSRMC-UHFFFAOYSA-N
A24932
2-(3-Cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
C18H20N2O3S
2-(3-cyano-4-isobutoxy-phenyl)-4-methylthiazole-5-carboxylic acid ethyl ester
160844-75-7
BCP23118
ethyl 2-[3-cyano-4-(2-methyl propoxy)phenyl]-4-methyl-5-thiazolcarboxylate
SY102399

MDL Number

MFCD09833701

EC Number

927-913-5

Customs Code

2942000000

FAQ

What is Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 160844-75-7)?

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is a chemical compound with the CAS number 160844-75-7. It belongs to the class of thiazole derivatives and contains functional groups such as cyano, isobutoxy, and carboxylate. This compound is known for its potential applications in organic synthesis and pharmaceutical research due to its structural versatility and reactivity.

What are the main uses of Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 160844-75-7)?

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is primarily used in pharmaceutical development as a building block for drug molecules. It also finds applications in organic chemistry research for the synthesis of complex compounds. Additionally, it may be used in industrial processes for the production of specialty chemicals and in the formulation of agrochemicals due to its functional group diversity.

Is Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 160844-75-7) safe?

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is generally considered safe when handled properly. However, it is advisable to take standard safety precautions, such as using personal protective equipment (PPE), working in a well-ventilated area, and avoiding direct contact with skin or inhalation. Safety data sheets (SDS) should be consulted for detailed toxicity information and handling guidelines.

How should Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CAS: 160844-75-7) be stored?

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate should be stored in a cool, dry, and well-ventilated place, away from light. It is recommended to keep it in a sealed container at a temperature below 25°C and maintain low humidity to ensure stability. Avoid exposure to moisture and heat to prevent degradation.