CAS 1187595-85-2

2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile

Description:

2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile, identified by its CAS number 1187595-85-2, is a chemical compound characterized by its unique structural features. It contains an azetidine ring, which is a four-membered saturated heterocyclic structure, contributing to its potential biological activity. The presence of an ethylsulfonyl group enhances its solubility and reactivity, making it a valuable intermediate in organic synthesis. The acetonitrile moiety introduces a nitrile functional group, which is known for its polar character and ability to participate in various chemical reactions, including nucleophilic additions. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its synthesis and characterization are crucial for understanding its reactivity and potential applications in drug development or as a building block in complex organic molecules. As with many chemical substances, safety data and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₇H₁₀N₂O₂S

InChI: InChI=1S/C7H10N2O2S/c1-2-12(10,11)9-5-7(6-9)3-4-8/h3H,2,5-6H2,1H3

InChI key: InChIKey=HQUIOHSYUKWGOM-UHFFFAOYSA-N

SMILES: S(CC)(=O)(=O)N1CC(=CC#N)C1

Synonyms:

• 2-[1-(Ethanesulfonyl)azetidin-3-ylidene]acetonitrile
• 2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile
• Acetonitrile, 2-[1-(ethylsulfonyl)-3-azetidinylidene]-
• [1-(Ethylsulfonyl)azetidin-3-ylidene]acetonitrile
• 2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile

CAS: 1187595-85-2

Formula: C₇H₁₀N₂O₂S

Purity: 97%

Color and Shape: Solid

Molecular weight: 186.2315

Ref: IN-DA008RKE

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile

CAS: 1187595-85-2

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile

Purity: 98%

Color and Shape: Solid

Molecular weight: 186.23g/mol

Ref: 54-OR921330

Baricitinib Impurity 49

CAS: 1187595-85-2

Formula: C₇H₁₀N₂O₂S

Molecular weight: 186.23

Ref: 4Z-B-154055

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile

CAS: 1187595-85-2

Formula: C₇H₁₀N₂O₂S

Purity: 95%

Color and Shape: Solid

Molecular weight: 186.23

Ref: 10-F465117

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile

Controlled Product

CAS: 1187595-85-2

Applications 2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile is an intermediate in the synthesis of Baricitinib, a JAK 1 and 2 inhibitor used in the treatment of rheumatoid arthritis.
References Xu, Jiaojiao et al.: J. of Chem. Res., 40(4), 205-208 (2016)

Formula: C₇H₁₀N₂O₂S

Color and Shape: Neat

Molecular weight: 186.23

Ref: TR-E926540

Baricitinib Impurity A

CAS: 1187595-85-2

Formula: C₇H₁₀N₂O₂S

Molecular weight: 186.23

Ref: ST-EA-CP-B31006