Ethyl 3-(4-amino-3-pyridyl)acrylate

Base Information

• Chemical Name: Ethyl 3-(4-amino-3-pyridyl)acrylate
• CAS No.: 104830-07-1
• Molecular Formula: C₁₀H₁₂N₂O₂
• Molecular Weight: 192.217
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40696562
• Mol file: 104830-07-1.mol

Synonyms:ETHYL 3-(4-AMINO-3-PYRIDYL)ACRYLATE;Ethyl 3-(4-aminopyridin-3-yl)acrylate;DTXSID40696562;MFCD07781149;SB54279;SY232332;ETHYL 3-(4-AMINOPYRIDIN-3-YL)PROP-2-ENOATE

Chemical Property of Ethyl 3-(4-amino-3-pyridyl)acrylate

Chemical Property:

• Vapor Pressure: 9.78E-06mmHg at 25°C
• Refractive Index: 1.599
• Boiling Point: 372.2°Cat760mmHg
• Flash Point: 178.9°C
• PSA: 65.21000
• Density: 1.183g/cm³
• LogP: 1.82130
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 192.089877630
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(4-aminopyridin-3-yl)acrylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=CC1=C(C=CN=C1)N
• Use Description: 3-(4-Amino-pyridin-3-yl)-acrylic acid ethyl ester is a chemical compound with potential applications in various fields. In the pharmaceutical industry, it can serve as a valuable intermediate for the synthesis of organic molecules, contributing to the development of pharmaceutical drugs and active ingredients. Its role as a chemical building block enables the creation of diverse compounds with therapeutic properties. In the field of organic chemistry and research, this compound can be used as a reagent for various chemical transformations, facilitating the discovery of new molecules and synthetic pathways. Additionally, in the realm of materials science, it may find applications as a precursor for the production of specialized materials and polymers, although specific uses may require further investigation. Its versatility as a chemical intermediate underscores its significance in pharmaceuticals, organic synthesis, and materials science, playing crucial roles in advancing research and innovation in these diverse fields.

Technology Process of Ethyl 3-(4-amino-3-pyridyl)acrylate

There total 3 articles about Ethyl 3-(4-amino-3-pyridyl)acrylate 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: 78.0%

3-iodo-2-aminopyridine (104830-06-0) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 2-amino-3-pyridineacrylate (104830-07-1)

Guidance literature:

With triethylamine; palladium diacetate; In acetonitrile; at 120 ℃; for 24h;

Reference yield:

2-chloro-3-aminopyridine (6298-19-7) → ethyl 2-amino-3-pyridineacrylate (104830-07-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) sodium nitrite, HCl; 2.) KI / 1.) 0 deg C, H₂O; 2.) H₂O, 30 min at RT then 30 min at 60 deg C

2: 67 percent / NH₃ / ethanol / 48 h / 180 °C

3: 78 percent / Et₃N / Pd(OAc)2 / acetonitrile / 24 h / 120 °C

With hydrogenchloride; ammonia; triethylamine; potassium iodide; sodium nitrite; palladium diacetate; In ethanol; acetonitrile;

Reference yield:

2-chloro-3-iodopyridine (78607-36-0) → ethyl 2-amino-3-pyridineacrylate (104830-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / NH₃ / ethanol / 48 h / 180 °C

2: 78 percent / Et₃N / Pd(OAc)2 / acetonitrile / 24 h / 120 °C

With ammonia; triethylamine; palladium diacetate; In ethanol; acetonitrile;

upstream raw materials:

3-iodo-2-aminopyridine

ethyl acrylate

2-chloro-3-aminopyridine

2-chloro-3-iodopyridine

Downstream raw materials:

1,8-naphthyridine-2(1H)-one

Refernces