Ethyl 3-(2-chloranylpyridin-3-yl)prop-2-enoate

Base Information

• Chemical Name: Ethyl 3-(2-chloranylpyridin-3-yl)prop-2-enoate
• CAS No.: 104830-08-2
• Molecular Formula: C10H10 Cl N O2
• Molecular Weight: 211.64
• Hs Code.: 2933399090
• Mol file: 104830-08-2.mol

Synonyms:SCHEMBL12975923;AB21815;FT-0677599;ethyl 3-(2-chloranylpyridin-3-yl)prop-2-enoate;A801071;3-(2-chloro-3-pyridinyl)-2-propenoic acid ethyl ester

Chemical Property of Ethyl 3-(2-chloranylpyridin-3-yl)prop-2-enoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 57.6-59.0°C
• Refractive Index: 1.566
• Boiling Point: 322.3°Cat760mmHg
• Flash Point: 148.7°C
• PSA: 39.19000
• Density: 1.229g/cm³
• LogP: 2.31130
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 211.0400063
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Chloro-pyridin-3-yl)-acrylic acid ethyl ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=CC1=C(N=CC=C1)Cl

Technology Process of Ethyl 3-(2-chloranylpyridin-3-yl)prop-2-enoate

There total 2 articles about Ethyl 3-(2-chloranylpyridin-3-yl)prop-2-enoate 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-chloro-3-iodopyridine (78607-36-0) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 2-chloro-3-pyridineacrylate (104830-08-2)

Guidance literature:

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

Reference yield:

2-chloro-3-aminopyridine (6298-19-7) → ethyl 2-chloro-3-pyridineacrylate (104830-08-2)

Guidance literature:

Multi-step reaction with 2 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: Et₃N / Pd(OAc)2 / 24 h / 120 °C

With hydrogenchloride; triethylamine; potassium iodide; sodium nitrite; palladium diacetate;

Reference yield: 74.0%

ethyl 2-chloro-3-pyridineacrylate (104830-08-2) → 1,8-naphthyridine-2(1H)-one (15936-09-1)

Guidance literature:

With ammonia; In ethanol; at 180 ℃; for 24h;

upstream raw materials:

2-chloro-3-iodopyridine

ethyl acrylate

2-chloro-3-aminopyridine

Downstream raw materials:

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

Refernces