trans-3-(3-Pyridyl)acrylic acid - CAS 19337-97-4
Catalog: |
BB014950 |
Product Name: |
trans-3-(3-Pyridyl)acrylic acid |
CAS: |
19337-97-4 |
Synonyms: |
(E)-3-pyridin-3-ylprop-2-enoic acid |
IUPAC Name: | (E)-3-pyridin-3-ylprop-2-enoic acid |
Description: | trans-3-(3-Pyridyl)acrylic acid (CAS# 19337-97-4) is a useful synthetic intermediate. It is used to synthesize aminomethyl benzimidazoles as inhibitors of gelatinase B. It can also be used to prepare aminopyridines as antibacterial enoyl ACP reductase inhibitors. |
Molecular Weight: | 149.15 |
Molecular Formula: | C8H7NO2 |
Canonical SMILES: | C1=CC(=CN=C1)C=CC(=O)O |
InChI: | InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+ |
InChI Key: | VUVORVXMOLQFMO-ONEGZZNKSA-N |
Boiling Point: | 307.6 ℃ at 760 mmHg |
Melting Point: | 232-235 ℃ |
Purity: | 98+ % |
Density: | 1.261 g/cm3 |
Appearance: | Crystals |
Storage: | 2-8 ℃ |
MDL: | MFCD00006410 |
LogP: | 1.17940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21167710 | 20110501 | Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A) | Bioorganic & medicinal chemistry letters |
19032931 | 20090401 | Electrochemical DNA biosensor based on silver nanoparticles/poly(3-(3-pyridyl) acrylic acid)/carbon nanotubes modified electrode | Analytical biochemistry |
17806099 | 20071001 | Precursor-directed biosynthesis of stilbene methyl ethers in Escherichia coli | Biotechnology journal |
17675691 | 20070801 | Hydrogen-bonded networks in trans-3-(3-pyridyl)acrylic acid and rctt-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride | Acta crystallographica. Section C, Crystal structure communications |
17899880 | 20070801 | Poly (3-(3-pyridyl) acrylic acid) modified glassy carbon electrode for simultaneous determination of dopamine, ascorbic acid and uric acid | Annali di chimica |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 149.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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