Ethyl 4-amino-6-chloronicotinate

Base Information

• Chemical Name: Ethyl 4-amino-6-chloronicotinate
• CAS No.: 380626-81-3
• Molecular Formula: C8H9ClN2O2
• Molecular Weight: 200.625
• DSSTox Substance ID: DTXSID90356462
• Wikidata: Q82135798
• Mol file: 380626-81-3.mol

Synonyms:ethyl 4-amino-6-chloronicotinate;380626-81-3;ethyl 4-amino-6-chloropyridine-3-carboxylate;4-AMINO-6-CHLORO-NICOTINIC ACID ETHYL ESTER;MFCD00834975;Ethyl 4-amino-6-chloro-pyridine-3-carboxylate;3-Pyridinecarboxylic acid, 4-amino-6-chloro-, ethyl ester;4-amino-6-chloropyridine-3-carboxylic acid ethyl ester;AC-907/34126050;SCHEMBL2445600;ethyl4-amino-6-chloronicotinate;DTXSID90356462;OAQIVHCEAFDMTK-UHFFFAOYSA-N;CS-D1090;BBL102275;STL556074;AKOS017343346;SB36942;AC-27989;DS-14322;4-Amino-6-chloronicotinic acid ethyl ester;FT-0698347;EN300-5249917;A852754

Chemical Property of Ethyl 4-amino-6-chloronicotinate

Chemical Property:

• Boiling Point: 335.8±37.0 °C(Predicted)
• PKA: 2.75±0.42(Predicted)
• PSA: 65.21000
• Density: 1.326±0.06 g/cm3(Predicted)
• LogP: 2.07510
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 200.0352552
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-amino-6-chloronicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=C(C=C1N)Cl
• Uses: Ethyl 4-Amino-6-chloronicotinate is a useful reagent in the preparation of biologically active small molecules with pharmaceutical application.

Technology Process of Ethyl 4-amino-6-chloronicotinate

There total 6 articles about Ethyl 4-amino-6-chloronicotinate 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: 99.0%

ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (1391740-89-8) → ethyl 4-amino-6-chloropyridine-3-carboxylate (380626-81-3)

Guidance literature:

With trifluoroacetic acid; at 50 ℃; for 16h;

Reference yield: 62.3%

ethyl 6-chloro-4-((2,4-dimethoxybenzyl)amino)nicotinate (1588423-42-0) → ethyl 4-amino-6-chloropyridine-3-carboxylate (380626-81-3)

Guidance literature:

With trifluoroacetic acid; at 50 ℃;

Reference yield:

ethyl 4-(benzylamino)-6-chloropyridine-3-carboxylate → ethyl 4-amino-6-chloropyridine-3-carboxylate (380626-81-3)

Guidance literature:

With sulfuric acid; at 0 - 25 ℃; for 0.75h;

upstream raw materials:

ethyl 4,6-dichloronicotinate

ethyl 6-chloro-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

ethyl 6-chloro-4-((2,4-dimethoxybenzyl)amino)nicotinate

diethyl 1,3-acetonedicarboxylate

Downstream raw materials:

N-(3-(3-amino-4-fluorophenyl)-2-methyl[1,6]naphthyridin-7-yl)cyclopropanecarboxamide

prop-1-en-2-yl (2-fluoro-5-(7-((4-methoxybenzyl)(methyl)amino)-2-methyl[1,6]naphthyridin-3-yl)phenyl)carbamate

1-(3,3-dimethylbutyl)-3-(2-fluoro-5-(7-((4-methoxybenzyl)(methyl)amino)-2-methyl-1,6-naphthyridin-3-yl)phenyl)urea

1-(3,3-dimethylbutyl)-3-(2-fluoro-5-(2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl)phenyl)urea