Ethyl 2-chloro-1,3-oxazole-5-carboxylate

Basic Information

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CAS Number

862599-47-1

Molecular Formula

C6H6ClNO3

Molecular Weight

175.57 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

254.1℃ at 760 mmHg

Density

1.332

Flash Point

107.5°C

Refractive Index

1.487

SMILES

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CCOC(=O)c1cnc(Cl)o1

InChI

InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3

InChIKey

ZFLDTEIDAGWEEI-UHFFFAOYSA-N

LogP

1.5047000000000001

Topological Polar Surface Area

52.33 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

153

Safety Information

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Hazard Statement

Synonyms & References

English

Ethyl 2-chlorooxazole-5-carboxylate
5-Oxazolecarboxylicacid, 2-chloro-, ethyl ester
Ethyl 2-chloro-1,3-oxazole-5-carboxylate
5-Oxazolecarboxylic acid, 2-chloro-, ethyl ester
ZFLDTEIDAGWEEI-UHFFFAOYSA-N
BCP18038
STL557066
BBL103256
FCH921709
CE0067
AB50633
VO10078
OR11484
SY019145
ethyl-2-chloro-1,3-oxazole-5-carboxylate
AB0038229
AX8128231
Y5588
ST24046855
5-Oxazol
ethyl 2-chloro-1,3-oxazole-5-carboxylate

MDL Number

MFCD09475866

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 2-chloro-1,3-oxazole-5-carboxylate (CAS: 862599-47-1)?

Ethyl 2-chloro-1,3-oxazole-5-carboxylate is a white crystalline solid with a molecular weight of approximately 197.03 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored away from moisture and strong acids.

How is Ethyl 2-chloro-1,3-oxazole-5-carboxylate (CAS: 862599-47-1) typically synthesized?

Ethyl 2-chloro-1,3-oxazole-5-carboxylate can be synthesized via the reaction of 2-chloro-1,3-oxazole-5-carboxylic acid with ethyl chloromethyl ketone. This process typically involves the use of a base like sodium hydroxide and is conducted under reflux conditions. The yield is generally good, and the product is isolated by recrystallization from ethanol.

What industries use Ethyl 2-chloro-1,3-oxazole-5-carboxylate (CAS: 862599-47-1)?

Ethyl 2-chloro-1,3-oxazole-5-carboxylate is used in the pharmaceutical industry for the synthesis of various pharmaceuticals, particularly in medicinal chemistry. It is also utilized in the polymer industry for the development of novel materials and in the field of sensors for its unique chemical properties.

What precautions should be taken when handling Ethyl 2-chloro-1,3-oxazole-5-carboxylate (CAS: 862599-47-1)?

When handling Ethyl 2-chloro-1,3-oxazole-5-carboxylate, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. This compound should be used in a fume hood due to its potential for vapor release. In case of a spill, it should be cleaned up using an appropriate absorbent material, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal information.