Sodium 2,2-dichloroacetic acid

Base Information

• Chemical Name: Sodium 2,2-dichloroacetic acid
• CAS No.: 2156-56-1
• Molecular Formula: C2HCl2NaO2
• Molecular Weight: 150.925
• Hs Code.: 29154000
• NSC Number: 744479
• Mol file: 2156-56-1.mol

Synonyms:sodium 2,2-dichloroacetic acid;sodium;2,2-dichloroacetic acid;NSC744479

Chemical Property of Sodium 2,2-dichloroacetic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.196mmHg at 25°C
• Melting Point: 198 °C (dec.)(lit.)
• Boiling Point: 194 °C at 760 mmHg
• Flash Point: 75.6 °C
• PSA: 40.13000
• LogP: -0.46000
• Storage Temp.: Desiccate at RT
• Sensitive.: Moisture Sensitive
• Solubility.: Methanol (Slightly), Water (Slightly)
• Water Solubility.: soluble in cold water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.9329540
• Heavy Atom Count: 7
• Complexity: 60.6

Purity/Quality:

99% ^*data from raw suppliers

Dichloroacetate[DCA].sodiumsalt ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-40
• Safety Statements: 26-37/39-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(=O)O)(Cl)Cl.[Na+]
• Uses: Sodium dichloroacetate (DCA) is a mitochondrial pyruvate dehydrogenase kinase inhibitor, and is an orally absorbable small molecular compound for MELAS syndrome, and children with congenital lactic acidosis and other diseases that are treated in the clinic. Recent studies had found that DCA acts as a potential vasoprotective agent by inhibiting PDK2 and reducing coronary endarterium proliferation. Further, DCA promotes brain regeneration after cerebral ischemia, which indicates that DCA might play an important role in VD. Treatment of neurologic injury (pyruvate dehydrogenase activator). Sodium dichloroacetate is an inhibitor of mitochondrial pyruvate dehydrogenase kinase.

Technology Process of Sodium 2,2-dichloroacetic acid

There total 1 articles about Sodium 2,2-dichloroacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

dichloro-acetic acid (79-43-6) → sodium dichloroacetate (2156-56-1)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 2h;

DOI:10.1016/j.jorganchem.2018.05.020

Reference yield: 84.0%

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride (72287-26-4,95464-05-4) + sodium dichloroacetate (2156-56-1) → [Pd(O2CHCl2)2(1,1'-bis(diphenylphosphino)ferrocene)] (494828-95-4)

Guidance literature:

With AgNO₃; In dichloromethane; (Ar); mixing palladium complex, sodium and silver salts in CH2Cl2, stirring at room temp. for 16 h in the dark; filtration through celite column, concn., addn. of hexane; elem. anal.;

DOI:10.1016/S0022-328X(02)01645-5

Reference yield: 80.3%

sodium dichloroacetate (2156-56-1) + sodium salt of 4-chloro-2-sulfinylphenoxyacetamide → (4-Chloro-2-chloromethanesulfonyl-phenoxy)-acetic acid + 2-(4-Chloro-2-chloromethanesulfonyl-phenoxy)-acetamide

Guidance literature:

In water; at 95 ℃; for 8h;

upstream raw materials:

dichloro-acetic acid

Downstream raw materials:

Dichloro-acetic acid (isopropoxycarbonyl-phenyl-amino)-methyl ester

Dichloro-acetic acid [(3-chloro-phenyl)-isopropoxycarbonyl-amino]-methyl ester

diphenyltellurium(IV) bis(dichloroacetate)

acide benzodioxine-(1,3)> caboxylique-2 trans