Ethyl 5-tert-butylisoxazole-3-carboxylate

Basic Information

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CAS Number

91252-54-9

Molecular Formula

C10H15NO3

Molecular Weight

197.23 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

Basic Physical Properties

Boiling Point

279.5°C at 760 mmHg

Density

1.057

Flash Point

122.8°C

Refractive Index

1.463

SMILES

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CCOC(=O)C1=NOC(=C1)C(C)(C)C

InChI

InChI=1S/C10H15NO3/c1-5-13-9(12)7-6-8(14-11-7)10(2,3)4/h6H,5H2,1-4H3

InChIKey

FDLIJPQDQLVOMY-UHFFFAOYSA-N

LogP

2.1487999999999996

Topological Polar Surface Area

52.33 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

210

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

Synonyms & References

English

Ethyl 5-tert-butylisoxazole-3-carboxylate
Ethyl 5-(tert-butyl)isoxazole-3-carboxylate
3-Isoxazolecarboxylicacid, 5-(1,1-dimethylethyl)-, ethyl ester
ethyl 5-tert-butyl-1,2-oxazole-3-carboxylate
5-tert-Butyl-isoxazol-3-carbonsaeure-aethylester
5-tert-butylisoxazole-3-carboxylic acid ethyl ester
ethyl 5-t-butyl-isoxazole-3-carboxylate
FDLIJPQDQLVOMY-UHFFFAOYSA-N
5-tert-butyl-3-isoxazolecarboxylic acid ethyl ester
SBB014613
STK691837
OR29684
ST2406964
ST4140282
A
3-Isoxazolecarboxylic acid, 5-tert-butyl-, ethyl ester (7CI)
Ethyl 5-(1,1-dimethylethyl)-3-isoxazolecarboxylate (ACI)
5-tert-Butylisoxazole-3-carboxylic acid ethyl ester
Ethyl 5-tert-butylisoxazle-3-carboxylate
3-Isoxazolecarboxylic acid, 5-(1,1-dimethylethyl)-, ethyl ester
DTXSID60587943
DB-013644
AS-5373
3-Isoxazolecarboxylicacid,5-(1,1-dimethylethyl)-,ethyl ester
91252-54-9
SCHEMBL352509
CS-W006590
ethyl 5-(tert-butyl)isoxazole-3-carboxylate
ethyl 5-tert-butylisoxazole-3-carboxylate
MFCD00085057
ETHYL 5-(TERT-BUTYL)-3-ISOXAZOLECARBOXYLATE

MDL Number

MFCD00085057

Customs Code

2934999090

FAQ

What is Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9)?

Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9) is an organosulfur compound used in pharmaceuticals and chemical research. It has the molecular formula C10H16O3S and is a white to slightly off-white solid at room temperature.

What are the main uses of Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9)?

Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9) is primarily used as a precursor in the synthesis of pharmaceuticals and as a reagent in organic chemistry research. It is also used in the development of novel materials and in the preparation of various chemical compounds.

Is Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9) safe?

Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9) is generally considered safe when handled with proper precautions. It is important to follow safety guidelines, including using appropriate personal protective equipment such as gloves and goggles, and storing it in a well-ventilated area away from heat and sources of ignition.

How should Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9) be stored?

Ethyl 5-tert-butylisoxazole-3-carboxylate (CAS: 91252-54-9) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to protect it from moisture and air. Storage at temperatures below 25°C is recommended to maintain its stability and prevent degradation.