2-Propenoic acid, 3-(2-pyridinyl)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(2-pyridinyl)-
• CAS No.: 7340-22-9
• Molecular Formula: C8H7NO2
• Molecular Weight: 149.149
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID001302700
• Mol file: 7340-22-9.mol

Synonyms:2-Propenoic acid, 3-(2-pyridinyl)-;3-Pyridin-2-yl-acrylic acid;MFCD00179422;3-(pyridyl)-acrylic acid;NCIOpen2_000250;beta-(2-pyridyl)acrylic acid;DTXSID001302700;3-(2-Pyridinyl)-2-propenoic acid;AKOS026675527;PS-5779;SB52305;(E)-3-(Pyridin-2-yl)acrylic acid97%;SY016110;FT-0636443

Chemical Property of 2-Propenoic acid, 3-(2-pyridinyl)-

Chemical Property:

• Vapor Pressure: 0.000376mmHg at 25°C
• Melting Point: 201-203 °C
• Refractive Index: 1.624
• Boiling Point: 304.8 °C at 760 mmHg
• PKA: 2.06±0.10(Predicted)
• Flash Point: 138.1 °C
• PSA: 50.19000
• Density: 1.261 g/cm³
• LogP: 1.17940
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 149.047678466
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Pyridyl)AcrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C=CC(=O)O

Technology Process of 2-Propenoic acid, 3-(2-pyridinyl)-

There total 2 articles about 2-Propenoic acid, 3-(2-pyridinyl)- 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%

pyridine-2-carbaldehyde (1121-60-4) + malonic acid (141-82-2) → 3-pyridin-2-yl-acrylic acid (7340-22-9)

Guidance literature:

With piperidine; pyridine; at 65 ℃; for 3h; Temperature;

Reference yield:

→ 3-pyridin-2-yl-acrylic acid (7340-22-9)

Guidance literature:

1-Trichlormethyl-2,2'-pyridylethanol, Hydrolyse;

DOI:10.1039/jr9650005704

Reference yield: 95.0%

3-pyridin-2-yl-acrylic acid (7340-22-9) + 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate (126812-30-4) → (E)-2-(2-cyclohexylstyryl)pyridine (1624610-64-5)

Guidance literature:

With triphenylphosphine; sodium iodide; In N,N-dimethyl acetamide; at 25 ℃; for 10h; stereoselective reaction; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1039/d0ob01242d

upstream raw materials:

pyridine-2-carbaldehyde

malonic acid

Downstream raw materials:

(E)-ethyl 3-(2-pyridyl)-propenoate

3-(pyridin-2-yl)propanoic acid

ethyl 3-(2-pyridinyl)propanoate

2-[2-(5-Methyl-1H-imidazol-4-ylmethylsulfanyl)-ethylamino]-5-pyridin-2-ylmethyl-1H-pyrimidin-4-one; hydrochloride

Refernces

• 1、 Maeta, Naoya,Kamiya, Hidehiro,Okada, Yohei. "Radical-Cation Vinylcyclopropane Rearrangements by TiO2Photocatalysis". supporting information. p. 6551 - 6566. Retrieved 2020/07/14.
• 2、 Brown, Thomas H.,Blakemore, Robert C.,Blurton, Peter,Durant, Graham J.,Ganellin, C. Robin,et al.. "Isocytosine H2-receptor histamine antagonists II. Synthesis and evaluation of biological activity at histamine H1- and H2-receptors of 5-(heterocyclyl)methylisocytosines". . p. 65 - 72. Retrieved 2007/10/02.