2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid, 3-ethyl ester

Base Information

• Chemical Name: 2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid, 3-ethyl ester
• CAS No.: 113994-38-0
• Molecular Formula: C₁₉H₂₁ClN₂O₅
• Molecular Weight: 392.839
• UNII: 8GL2721R3F
• DSSTox Substance ID: DTXSID10150621
• Wikidata: Q27270435
• Mol file: 113994-38-0.mol

Synonyms:113994-38-0;2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid 3-ethyl ester;2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid, 3-ethyl ester;6-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid;8GL2721R3F;3,5-Pyridinedicarboxylicacid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-, 3-ethyl ester;3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-, 3-ethyl ester;2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylicacid 3-ethylester;UNII-8GL2721R3F;Amlodipine metabolite M1;SCHEMBL18157026;DTXSID10150621;Q27270435;3-ethyl ester2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid

Chemical Property of 2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid, 3-ethyl ester

Chemical Property:

• Melting Point: 70-73 ºC
• Boiling Point: 520.1±50.0 °C(Predicted)
• PKA: 1.99±0.25(Predicted)
• PSA: 111.74000
• Density: 1.298
• LogP: 3.76090
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 392.1138995
• Heavy Atom Count: 27
• Complexity: 507

Purity/Quality:

99% ^*data from raw suppliers

2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylicacid 3-ethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(N=C1COCCN)C)C(=O)O)C2=CC=CC=C2Cl

Technology Process of 2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid, 3-ethyl ester

There total 5 articles about 2-((2-Aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-3,5-pyridinedicarboxylic acid, 3-ethyl ester 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:

2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine (88150-42-9) → C18H18ClNO5 + 2-(aminoethoxymethyl)-5-carboxy-4-(2-chlorophenyl)-3-ethoxycarbonyl-6-methylpyridine (113994-38-0)

Guidance literature:

With sodium hypochlorite; octabromotetrakis(2,6-dichlorophenyl)porphyrin Fe(III)Cl; water; In acetonitrile; at 80 ℃; for 0.5h; Microwave irradiation;

Reference yield:

4-(2-chlorophenyl)-5-(2-cyanoethoxycarbonyl)-3-ethoxycarbonyl-6-methyl-2-(2-phtalimidoethoxymethyl)pyridine (120289-19-2) → 2-(aminoethoxymethyl)-5-carboxy-4-(2-chlorophenyl)-3-ethoxycarbonyl-6-methylpyridine (113994-38-0)

Guidance literature:

With methylamine; In water; methylamine; for 5h; Ambient temperature;

Reference yield:

2-chloro-benzaldehyde (89-98-5) → 2-(aminoethoxymethyl)-5-carboxy-4-(2-chlorophenyl)-3-ethoxycarbonyl-6-methylpyridine (113994-38-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.15 g / piperidine / methanol / Ambient temperature; 1.) RT, 16 h, 2.) reflux, 4 h

2: 0.41 g / sodium nitrite / acetic acid / 1 h / 50 °C

3: methylamine / H₂O; methylamine / 5 h / Ambient temperature

With piperidine; methylamine; sodium nitrite; In methanol; water; acetic acid; methylamine;

upstream raw materials:

4-(2-chlorophenyl)-5-(2-cyanoethoxycarbonyl)-3-ethoxycarbonyl-6-methyl-2-(2-phtalimidoethoxymethyl)pyridine

2-chloro-benzaldehyde

ethyl 4-[2-(phthalimido)ethoxy]acetoacetate

4-(2-chlorophenyl)-5-(2-cyanoethoxycarbonyl)-3-ethoxycarbonyl-6-methyl-2-(2-phtalimidoethoxymethyl)-1,4-dihydropyridine

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