Ethyl 1,3-benzothiazol-2-ylacetate

Basic Information

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CAS Number

29182-42-1

Molecular Formula

C11H11NO2S

Molecular Weight

221.28 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Sticky Oil to Semi-Solid

Boiling Point

145°C/1.5mmHg

Flash Point

154°C

Refractive Index

1.613

SMILES

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CCOC(=O)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3

InChIKey

VYMJUZXFYAREJY-UHFFFAOYSA-N

LogP

2.4019000000000004

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

235

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD00546397
ethyl 2-(benzothiazolyl)acetate
NCI60_006232
2-(1,3-benzothiazol-2-yl)acetic acid ethyl ester
BCP32563
NSC621357
ethylbenzothiazole-2-acetate
A819800
AC-9155
ethyl 2-(1,3-benzothiazol-2-yl)acetate
AS-19796
FT-0638838
Z955124938
J-520639
AKOS000273512
AB06434
DTXSID30326902
Ethyl 2-(benzo[d]thiazol-2-yl)acetate;2-(2-Benzothiazolyl)acetic Acid Ethyl Ester
ethyl 2-(benzo[d]thiazol-2-yl)acetate
Ethyl 2-Benzothiazoleacetate
B2168
2-(2-Benzothiazolyl)acetic Acid Ethyl Ester
CS-W002644
Ethyl (1,3-benzothiazol-2-yl)acetate
NSC-621357
ETHYL 1,3-BENZOTHIAZOL-2-YLACETATE
2-BENZOTHIAZOLEACETIC ACID, ETHYL ESTER
SCHEMBL3100413
ethyl 2-(benzothiazol-2-yl)acetate
ethyl 2-(1,3-benzothiazol-2-yl)ethanoate
2-Benzothiazoleacetic Acid Ethyl Ester

MDL Number

MFCD00546397

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Ethyl 1,3-benzothiazol-2-ylacetate (CAS: 29182-42-1)?

Ethyl 1,3-benzothiazol-2-ylacetate (CAS: 29182-42-1) is a crystalline compound with a molecular weight of approximately 222.24 g/mol. It is soluble in organic solvents like ethanol and acetone but has limited water solubility. The compound exhibits moderate reactivity towards nucleophiles and electrophiles, suitable for various synthetic transformations.

How is Ethyl 1,3-benzothiazol-2-ylacetate (CAS: 29182-42-1) typically synthesized?

Ethyl 1,3-benzothiazol-2-ylacetate is typically synthesized via the acylation of 1,3-benzothiazol-2-amine with ethyl acetoacetate. This reaction is catalyzed by a Lewis acid like aluminum trichloride and proceeds with good yield under mild conditions. The method involves careful temperature control to ensure high selectivity and purity.

What industries use Ethyl 1,3-benzothiazol-2-ylacetate (CAS: 29182-42-1)?

Ethyl 1,3-benzothiazol-2-ylacetate is used in various industries, including pharmaceuticals, where it functions as a precursor for synthesizing bioactive compounds. It is also utilized in organic synthesis and the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Ethyl 1,3-benzothiazol-2-ylacetate (CAS: 29182-42-1)?

When handling Ethyl 1,3-benzothiazol-2-ylacetate (CAS: 29182-42-1), it is essential to use appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, handle it carefully using appropriate cleanup procedures and consult the Safety Data Sheet (SDS) for detailed instructions.