2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid

Base Information

• Chemical Name: 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid
• CAS No.: 552850-73-4
• Molecular Formula: C7H5ClN2O3
• Molecular Weight: 200.581
• Hs Code.: 2933399090
• Mol file: 552850-73-4.mol

Synonyms:Acetic acid, [(5-chloro-2-pyridinyl)aMino]oxo-;2-(5-chloropyridin-2-ylaMino)-2-oxoacetic acid;Acetic acid, 2-[(5-chloro-2-pyridinyl)aMino]-2-oxo-;[(5-chloropyridin-2-yl)carbamoyl]formic acid;[(5-Chloro-2-pyridinyl)amino]oxoacetic acid

Chemical Property of 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid

Chemical Property:

• PKA: -1.07±0.20(Predicted)
• PSA: 79.29000
• Density: 1.639±0.06 g/cm3(Predicted)
• LogP: 0.83110
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

2-((5-Chloropyridin-2-yl)amino)-2-oxoaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-((5-Chloropyridin-2-yl)amino)-2-oxoacetic Acid is a reactant or reagent used in the synthesis of the blood coagulating enzyme factor Xa (FXa) inhibitor.

Technology Process of 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid

There total 3 articles about 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic 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:

methyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate (480450-68-8) → 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid (552850-73-4)

Guidance literature:

methyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate; With water; potassium hydroxide; In ethanol; at 40 ℃;

With hydrogenchloride; pH=2;

Reference yield:

ethyl 2-((5-chloropyridin -2-yl)amino)-2-oxoacetate (349125-08-2) → 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid (552850-73-4)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmc.2022.116616

Reference yield:

5-chloro-2-pyridylamine (1072-98-6) → 2-((5-chloropyridin-2-yl)amino)-2-oxoacetic acid (552850-73-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 0 - 20 °C

2: lithium hydroxide; water / tetrahydrofuran / 20 °C

With water; triethylamine; lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmc.2022.116616

upstream raw materials:

methyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate

5-chloro-2-pyridylamine

ethyl 2-((5-chloropyridin -2-yl)amino)-2-oxoacetate

Downstream raw materials:

carbamic acid, N-[(1R,2S,5S)-2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-5-[(dimethylamino)carbonyl]cyclohexyl]-1,1-dimethylethyl ester

tert-Butyl (1R,2R,5S)-2-({2-[(5-chloropyridin-2-yl)amino]-2-oxoacetyl}amino)-5-[(dimethylamino)carbonyl]cyclohexyl-carbamate

(1S,2R,5R)-2-({2-[(5-chloropyridin-2-yl)amino]-2-oxoacetyl}amino)-5-[(dimethylamino)carbonyl]cyclohexylcarbamic acid tert-butyl ester