116-54-1 | Acetic acid, 2,2-dichloro-, methyl ester

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$19.00	$13.00
500g	98%	in stock	$62.00	$43.00

Description

• Catalog Number: AA14507
• Chemical Name: Acetic acid, 2,2-dichloro-, methyl ester
• CAS Number: 116-54-1
• Molecular Formula: C3H4Cl2O2
• Molecular Weight: 142.9687
• MDL Number: MFCD00000843
• SMILES: COC(=O)C(Cl)Cl
• NSC Number: 2882

Computed Properties

• Complexity: 71.3
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.5

Upstream Synthesis Route

Methyl dichloroacetate is a versatile chemical compound commonly utilized in a variety of chemical synthesis applications. It is a valuable building block in organic chemistry, particularly in the formation of esters, which are important intermediates in many chemical reactions. Due to its reactive nature, methyl dichloroacetate is widely used in the production of pharmaceuticals, agrochemicals, and specialty chemicals. It serves as an acylating agent in the synthesis of various active pharmaceutical ingredients (APIs) and can also be employed in the preparation of herbicides and insecticides. Additionally, its unique chemical properties make it a key component in the development of advanced materials and fine chemicals. As a crucial reagent in organic synthesis, methyl dichloroacetate plays a significant role in the creation of complex molecules and compounds with diverse applications across different industries.

Literature

• Identification of 2-aminothiazole-4-carboxylate derivatives active against Mycobacterium tuberculosis H37Rv and the beta-ketoacyl-ACP synthase mtFabH.

  PloS one 20090101