3-Pyridineacrylic acid, methyl ester

Base Information

• Chemical Name: 3-Pyridineacrylic acid, methyl ester
• CAS No.: 61859-84-5
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• NSC Number: 84238
• Nikkaji Number: J1.691.501G,J2.022.125I
• Mol file: 61859-84-5.mol

Synonyms:61859-84-5;81124-48-3;3-Pyridineacrylic acid, methyl ester;methyl (E)-3-pyridin-3-ylprop-2-enoate;Methyl 3-(pyridin-3-yl)acrylate;Methyl (E)-3-(pyridin-3-yl)acrylate;2-Propenoic acid, 3-(3-pyridinyl)-, methyl ester;METHYL (2E)-3-(PYRIDIN-3-YL)PROP-2-ENOATE;2-Propenoic acid, 3-(3-pyridinyl)-, methyl ester, (E)-;SCHEMBL2184876;methyl E-3-(3-pyridyl)acrylate;APCQGKVIYRVRKN-SNAWJCMRSA-N;AMY24020;NSC84238;methyl trans-3-(3-pyridyl)acrylate;MFCD00970044;NSC 84238;NSC-84238;Pyridine-3-acrylic acid methyl ester;methyl trans-3-(3-pyridyl)-acrylate;Methyl(E)-3-(pyridin-3-yl)acrylate;AKOS004909782;3-pyridin-3-yl-acrylic acid methyl ester;BS-45580;CS-0150952;CS-0369109;(alphaE)-Pyridine-3-acrylic acid methyl ester;EN300-365983;N10425

Chemical Property of 3-Pyridineacrylic acid, methyl ester

Chemical Property:

• Vapor Pressure: 0.00711mmHg at 25°C
• Boiling Point: 269.8°Cat760mmHg
• Flash Point: 117°C
• Density: 1.136g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=CC1=CN=CC=C1
• Isomeric SMILES: COC(=O)/C=C/C1=CN=CC=C1

Technology Process of 3-Pyridineacrylic acid, methyl ester

There total 5 articles about 3-Pyridineacrylic acid, methyl 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: 99.0%

3-iodopyridine (1120-90-7) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 3-pyridineacrylic acid methyl ester (61859-84-5)

Guidance literature:

With sodium acetate; In 1,2-dimethoxyethane; water; at 90 ℃; for 5h; regioselective reaction; Sealed tube;

DOI:10.1021/jacs.8b03505

Reference yield: 88.0%

methyl (triphenylphosphoranylidene)acetate + 3-pyridinecarboxaldehyde (500-22-1) → 3-pyridineacrylic acid methyl ester (61859-84-5)

Guidance literature:

In water; at 90 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.04.105

Reference yield: 85.0%

3-(pyridin-3-yl)acrylic acid (1126-74-5) + malonic acid dimethyl ester (108-59-8) → 3-pyridineacrylic acid methyl ester (61859-84-5)

Guidance literature:

With potassium bromide; In N,N-dimethyl-formamide; at 130 ℃; for 12h; Schlenk technique;

upstream raw materials:

3-pyridinecarboxaldehyde

bromoacetic acid methyl ester

3-Bromopyridine

acrylic acid methyl ester

Downstream raw materials:

3-(pyridin-3-yl)prop-2-en-1-ol

3-(3-pyridyl)acrolein