2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide

Basic Information

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CAS Number

84611-22-3

Molecular Formula

C6H8ClNO2S

Molecular Weight

193.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

456.171°C at 760 mmHg

Density

1.40

Flash Point

229.684 °C

SMILES

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C1CSC(=O)C1NC(=O)CCl

InChI

InChI=1S/C6H8ClNO2S/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9)

InChIKey

OSXVVUUZQNPXHC-UHFFFAOYSA-N

LogP

0.3734999999999998

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

185

Synonyms & References

English

AKOS016162044
84611-22-3
2-Chloro-N-(tetrahydro-2-oxo-3-thienyl)acetamide
2-Chloro-N-(2-oxotetrahydro-3-thienyl)acetamide
DTXSID90424610
2-chloro-N-(2-oxothiolan-3-yl)acetamide
CS-0249922
SCHEMBL11100048
N-CHLOROACETYL-DL-HOMOCYSTEINETHIOLACTONE
Z561159788
EN300-46863
FT-0664540
3-Chloroacetamido-2-oxo-tetrahydrothiophene
N-Chloroacetyl-DL-homocysteine thiolactone
LS-07367
N-Chloroacetyl DL-Homocysteine Thiolactone
2-chloro-N-(2-oxotetrahydrothiophen-3-yl)acetamide
A24908
AKOS000302747
MFCD07393747
2-Chloro-N-(2-oxo-tetrahydro-thiophen-3-yl)-acetamide
2-Chloro-N-(2-oxotetrahydrothiophen-3-yl)acetamide
2-chloro-N-(tetrahydro-2-oxo-3-thienyl)Acetamide
Acetamide,2-chloro-N-(tetrahydro-2-oxo-3-thienyl)-
2-chloro-N-(2-oxo(3-3,4,5-trihydrothienyl))acetamide
3-chloroacetamido-2-oxo-tetrahydrothiophene
N-chloroacetylhomocysteine thiolactone

MDL Number

MFCD07393747

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3)?

2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3) is a crystalline solid with a molecular weight of approximately 221.66 g/mol. It is slightly soluble in water and has a high solubility in organic solvents like dichloromethane and acetonitrile. The compound is reactive towards nucleophiles and can undergo substitution reactions. It has a pKa of around 6.5.

How is 2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3) typically synthesized?

2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3) is typically synthesized via a multi-step process starting from 2-chloroacetamide and 3-thiophenecarboxaldehyde. The key steps involve condensation followed by ring closure to form the thienyl moiety. The reaction is usually catalyzed by a Lewis acid and proceeds with good selectivity and yield.

What industries use 2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3)?

2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3) is used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also employed in the polymer industry for the development of novel materials with specific thermal and mechanical properties. Additionally, it finds applications in the production of sensors and semiconductors due to its functional groups.

What precautions should be taken when handling 2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3)?

When handling 2-Chloro-N-(2-oxotetrahydro-3-thiophenyl)acetamide (CAS: 84611-22-3), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.