Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate

Base Information

• Chemical Name: Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate
• CAS No.: 172527-71-8
• Molecular Formula: C13H13ClF3NO4
• Molecular Weight: 339.699
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60378858
• Wikidata: Q82168442
• Mol file: 172527-71-8.mol

Synonyms:172527-71-8;diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate;Diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate;diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate;diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate;2-(3-Chloro-5-trifluoromethylpyridin-2-yl)-malonic acid diethyl ester;diethylchlorotrifluoromethylpyridinylmalonate;SCHEMBL5211782;DTXSID60378858;Diethyl2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate;XGA52771;MFCD00231883;1,3-diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate;AKOS005071291;CS-0315111;9F-009;J-520269;diethyl 2-(3-chloro-5-trifluoromethyl-2-pyridyl)malonate;Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridin-yl]malonate;Diethyl [3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate

Chemical Property of Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate

Chemical Property:

• Melting Point: 43-45
• Boiling Point: 120-124/0.5mm
• PSA: 65.49000
• LogP: 2.96360
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 339.0485201
• Heavy Atom Count: 22
• Complexity: 387

Purity/Quality:

98%min ^*data from raw suppliers

Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OCC

Technology Process of Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate

There total 1 articles about Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate 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: 89.0%

2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) + diethyl malonate (105-53-3) → diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate (172527-71-8)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl acetamide; at 20 - 70 ℃; for 3h; Product distribution / selectivity;

Reference yield: 89.5%

{[2-(trifluoromethyl)benzoyl]amino}methyl acetate (895525-72-1) + diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate (172527-71-8) → C22H19ClF6N2O5 (895525-74-3)

Guidance literature:

With potassium carbonate; carbonic acid dimethyl ester; at 90 - 95 ℃; for 5h;

Reference yield: 88.7%

{[2-(trifluoromethyl)benzoyl]amino}methyl acetate (895525-72-1) + diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate (172527-71-8) → C23H19ClF6N2O7

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1h; Product distribution / selectivity;

upstream raw materials:

2,3-dichloro-5-trifluoromethylpyridine

diethyl malonate

Downstream raw materials:

2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-ethanamine

C₂₂H₁₉ClF₆N₂O₅

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