2533-69-9 | Methyl 2,2,2-trichloroacetimidate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$7.00	$5.00
10g	98%	in stock	$12.00	$9.00
25g	98%	in stock	$17.00	$12.00
100g	98%	in stock	$67.00	$47.00

Description

• Catalog Number: AB75524
• Chemical Name: Methyl 2,2,2-trichloroacetimidate
• CAS Number: 2533-69-9
• Molecular Formula: C3H4Cl3NO
• Molecular Weight: 176.42896000000002
• MDL Number: MFCD00001759
• SMILES: COC(=N)C(Cl)(Cl)Cl
• NSC Number: 306728

Computed Properties

• Complexity: 97.2
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.1

Upstream Synthesis Route

Ethanimidic acid, 2,​2,​2-​trichloro-​, methyl ester is a versatile compound widely used in chemical synthesis. It serves as a key building block in the production of various pharmaceuticals, agrochemicals, and functional materials. Due to its unique chemical structure, this compound exhibits excellent reactivity and selectivity in a range of organic transformations.In organic synthesis, Ethanimidic acid, 2,​2,​2-​trichloro-​, methyl ester is frequently employed as a precursor for the introduction of the trichloroethylamine functional group into target molecules. This functional group is valuable for its electron-withdrawing properties and its ability to participate in a variety of important reactions such as nucleophilic substitutions, amidations, and cyclizations.Furthermore, this compound can be utilized as a protecting group in the synthesis of sensitive intermediates or to control the regioselectivity of certain chemical reactions. Its compatibility with a wide range of standard organic solvents and reaction conditions makes it a valuable tool for synthetic chemists working in diverse areas such as medicinal chemistry, materials science, and agriculture.Overall, Ethanimidic acid, 2,​2,​2-​trichloro-​, methyl ester plays a crucial role in the construction of complex organic molecules with tailored properties and functionalities, making it an indispensable component in modern chemical synthesis strategies.

Literature

• Application of 2-trichloromethylbenzimidazole in analytical chemistry: a highly selective chromogenic reagent for thin-layer chromatography and some other analytical uses.

  Journal of analytical methods in chemistry 20120101

• (Z)-2,2,2-Trichloro-N-cyano-acetamidine.

  Acta crystallographica. Section E, Structure reports online 20090901

• Efficient synthesis and characterization of novel bibenzimidazole oligomers and polymers as potential conjugated chelating ligands.

  The Journal of organic chemistry 20051111