CAS 252742-72-6

3-Chloromethyl-1,2,4-triazolin-5-one

Description:

3-Chloromethyl-1,2,4-triazolin-5-one is a heterocyclic compound characterized by its triazole ring structure, which contains nitrogen atoms that contribute to its reactivity and potential biological activity. This compound features a chloromethyl group, which enhances its electrophilic properties, making it useful in various chemical reactions, including nucleophilic substitutions. The presence of the triazolinone moiety suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. Its molecular structure allows for interactions with biological targets, which may lead to antimicrobial or herbicidal properties. The compound's stability and solubility can vary depending on the solvent and environmental conditions, influencing its practical applications. Safety data and handling precautions are essential due to the presence of chlorine, which can pose health risks. Overall, 3-Chloromethyl-1,2,4-triazolin-5-one is a versatile compound with significant potential in various fields of chemistry and material science.

Formula: C₃H₄ClN₃O

InChI: InChI=1/C3H4ClN3O/c4-1-2-5-3(8)7-6-2/h1H2,(H2,5,6,7,8)

InChI key: InChIKey=ZLRBJVJEQXBAAI-UHFFFAOYSA-N

SMILES: C(Cl)C=1NC(=O)NN1

Synonyms:

• 3H-1,2,4-Triazol-3-one, 5-(chloromethyl)-1,2-dihydro-
• 5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
• 5-(chloromethyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
• 5-Chloromethyl-2,3-dihydro-4H-1,2,4-triazol-3-one
• 5-Chloromethyl-2,4-dihydro-[1,2,4]triazol-3-one
• 5-Chloromethyl-2H-1,2,4-triazolin-3-one
• 3-Chloromethyl-1,2,4-triazolin-5-one
• Aprepitant int-2 3-chloromethyl-1,2,4-triazolin-5-one
• (chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one
• 3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one
• Aprepitant intermediates，5-Chloromethyl-2,4-dihydro-〔1,2,4〕 triazol-3-one
• 5-(CHLOORMETHYL)-1,2-DIHYDRO-3H-1,2,4-TRIAZOOL-3-ON
• 5-Chloromethyl-1H-[1,2,4]triazol-3-ol
• 5-Chloromethyl-2,4-Dithydro-[1,2,4]Triazol-3-One
• 5-(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one
• -5(4H)-one
• 3-(chloroMethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
• Aprepitant Impurity 51
• 3-Chloromethyl-1,2,4-triazolin-5-one,Aprepitant intermediate
• 3-Chloromethyl-1,2,4-triazol-5-one

3H-​1,​2,​4-​Triazol-​3-​one, 5-​(chloromethyl)​-​1,​2-​dihydro-

CAS: 252742-72-6

Formula: C₃H₄ClN₃O

Purity: 98%

Color and Shape: Solid

Molecular weight: 133.5364

Ref: IN-DA00I4TT

5-Chloromethyl-2,4-dihydro-[1,2,4]triazol-3-one

CAS: 252742-72-6

5-Chloromethyl-2,4-dihydro-[1,2,4]triazol-3-one

Purity: 98%

Color and Shape: White Solid

Molecular weight: 133.54g/mol

Ref: 54-OR301039

3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one

CAS: 252742-72-6

Formula: C₃H₄ClN₃O

Purity: 98%

Color and Shape: Solid

Molecular weight: 133.54

Ref: 10-F079390

5-Chloromethyl-2H-1,2,4-triazolin-3-one

Controlled Product

CAS: 252742-72-6

Applications 5-Chloromethyl-2H-1,2,4-triazolin-3-one, is an intermediate used in the synthesis of Aprepitant (A729800) and Fosaprepitant, used as antiemetic drugs.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Wan, W. L., et al.: Chinese Chem. Lett., 24 (12), 118 (2013);

Formula: C₃H₄ClN₃O

Color and Shape: Neat

Molecular weight: 133.54

Ref: TR-C369885

3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one

CAS: 252742-72-6

3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one is a synthetic organic compound that is used as a reagent in organic synthesis. It can be prepared by the reaction of hydrochloric acid and chloromethyl methyl ether with sodium hydroxide. 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one is used in the industrial production of aprepitant, a drug for the prevention and treatment of nausea and vomiting caused by cancer drugs. The pharmacological activity of 3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one has been studied extensively. It is an inhibitor of cytochrome P450 enzymes and acts as an acylation agent by reacting with alcohols to form esters. 3-(Chloromethyl)-1H-1

Formula: C₃H₄CIN₃O

Purity: Min. 95%

Molecular weight: 237 g/mol

Ref: 3D-FC72032