Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate | CAS No. 1629013-79-1

Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate

Basic Information

CAS Number

1629013-79-1

Molecular Formula

C15H10BrNO4S

Molecular Weight

380.21 g/mol

AD

Basic Physical Properties

C1C=CC=C2C=1C(=O)N(C1SC(Br)=CC=1C(OCC)=O)C2=O

InChI

1S/C15H10BrNO4S/c1-2-21-15(20)10-7-11(16)22-14(10)17-12(18)8-5-3-4-6-9(8)13(17)19/h3-7H,2H2,1H3

InChIKey

DHWSDXSCCTYOLO-UHFFFAOYSA-N

LogP

3.4879000000000024

Topological Polar Surface Area

63.68 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Synonyms & References

English

    FAQ

    What are the physical and chemical properties of Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate (CAS: 1629013-79-1)?

    Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate is a crystalline solid with a molecular weight of approximately 443.95 g/mol. Its solubility in water is very low, making it more soluble in organic solvents like dichloromethane or acetonitrile. Chemically, it is reactive towards nucleophiles due to the bromine and thiophene functionalities. It is used in various organic synthesis reactions and as an intermediate in the synthesis of other compounds.

    How is Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate (CAS: 1629013-79-1) typically synthesized?

    Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate can be synthesized through a multi-step process involving bromination of an intermediate thiophene compound followed by condensation with an acylating agent like ethyl isooxazoline-5-carboxylate. This process often uses catalytic amounts of base and proceeds with good yield and selectivity.

    What industries use Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate (CAS: 1629013-79-1)?

    Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate is primarily used in the pharmaceutical and fine chemical industries. It serves as an important intermediate in the synthesis of various bioactive compounds and drug candidates due to its unique chemical structure and reactivity.

    What precautions should be taken when handling Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate (CAS: 1629013-79-1)?

    When handling Ethyl 5-bromo-2-(1,3-dioxoisoindolin-2-yl)thiophene-3-carboxylate, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat to prevent skin and eye contact. Work should be conducted in a well-ventilated fume hood due to its volatility and reactivity. Spills should be handled with appropriate absorbent materials and cleaned up according to standard safety protocols. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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