Ethyl 4-ethynylbenzoate

Basic Information

View in Editor

CAS Number

10602-03-6

Molecular Formula

C11H10O2

Molecular Weight

164.2 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

28 ºC

Boiling Point

257.1±23.0 ºC (760 Torr),

Flash Point

101.0±20.0 ºC,

SMILES

View in Editor

CCOC(=O)C1=CC=C(C=C1)C#C

InChI

InChI=1S/C11H10O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h1,5-8H,4H2,2H3

InChIKey

CKAGLAFXBLZHAS-UHFFFAOYSA-N

LogP

2.1717200000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

216

Synonyms & References

English

DTXSID80573863
AKOS015888301
ethyl p-ethynylbenzoate
Ethyl 4-Ethynylbenzoate
ethyl 4-ethynyl-benzoate
4-Ethynyl-benzoic acid ethyl ester
Benzoic acid, 4-ethynyl-, ethyl ester
10602-03-6
FT-0762158
CKAGLAFXBLZHAS-UHFFFAOYSA-
Ethyl-4-ethynylbenzoate
SY013309
A895907
InChI=1/C11H10O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h1,5-8H,4H2,2H3
EN300-7383802
CS-11272
2-Cyclopropyl- 4-oxazolecarboxylic acid ethyl ester
CS-D0535
SCHEMBL1007303
CKAGLAFXBLZHAS-UHFFFAOYSA-N
MFCD00168821
AM802882
Ethyl4-Ethynylbenzoate
Ethyl 4-ethynylbenzoate
4-ETHYNYL BENZOIC ACID ETHYLESTER
(4-ethyloxycarbonylphenyl)acetylene
4-(ethoxycarbonylphenyl)acetylene
CKAGLAFXBLZHAS-UHFFFAOYSA
p-(ethoxycarbonyl)phenylacetylene
(p-Ethoxycarbonylphenyl)acetylene
Ethyl 4-Ethynylbenzoate(WX686207)

MDL Number

MFCD00168821

FAQ

What are the physical and chemical properties of Ethyl 4-ethynylbenzoate (CAS: 10602-03-6)?

Ethyl 4-ethynylbenzoate (CAS: 10602-03-6) is a crystalline solid with a molecular weight of approximately 160.22 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive than other similar compounds due to the presence of the vinyl group, which can participate in electrophilic addition reactions.

How is Ethyl 4-ethynylbenzoate (CAS: 10602-03-6) typically synthesized?

Ethyl 4-ethynylbenzoate is typically synthesized via the Grignard reaction. Ethyl magnesium bromide reacts with benzoic anhydride to form the desired product. The reaction is carried out in anhydrous ether, and the yield can be improved by using high-purity reagents and maintaining an inert atmosphere.

What industries use Ethyl 4-ethynylbenzoate (CAS: 10602-03-6)?

Ethyl 4-ethynylbenzoate (CAS: 10602-03-6) is used in the pharmaceutical industry for the synthesis of certain drugs due to its ethynyl group, which can participate in bioorthogonal reactions. It is also utilized in the polymer industry for the preparation of novel materials with specific properties.

What precautions should be taken when handling Ethyl 4-ethynylbenzoate (CAS: 10602-03-6)?

When handling Ethyl 4-ethynylbenzoate (CAS: 10602-03-6), ensure that you wear appropriate personal protective equipment, including gloves and safety goggles. Work in a well-ventilated area or fume hood to minimize exposure. Keep the compound away from heat and ignition sources. In case of a spill, handle it according to the Material Safety Data Sheet (SDS) guidelines.