| Identification | More | [Name]
3-Pyridineacrylic acid | [CAS]
1126-74-5 | [Synonyms]
(2E)-3-PYRIDIN-3-YLACRYLIC ACID
3-(3-PYRIDYL)ACRYLIC ACID
3-PYRIDIN-3-YL-ACRYLIC ACID
3-PYRIDINEACRYLIC ACID
3-PYRIDYLACRYLIC ACID
AKOS AUF2066
B-(3-PYRIDYL)ACRYLIC ACID
RARECHEM BK HC S246
TRANS-3-(3'-PYRIDYL)ACRYLIC ACID
TRANS-3-(3-PYRIDYL)ACRYLIC ACID
3-PYRIDINYL-ACRYLIC ACID
3-(3-Pyridinyl)acrylic acid
Pyridine-3-acrylic acid | [EINECS(EC#)]
214-424-0 | [Molecular Formula]
C8H7NO2 | [MDL Number]
MFCD00006410 | [Molecular Weight]
149.15 | [MOL File]
1126-74-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
232-235 °C (dec.)(lit.)
| [Boiling point ]
270.21°C (rough estimate) | [density ]
1.2517 (rough estimate) | [refractive index ]
1.5320 (estimate) | [storage temp. ]
2-8°C
| [solubility ]
DMSO (Slightly), Methanol (Slightly, Heated) | [form ]
Solid | [pka]
3.13±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11) | [InChIKey]
VUVORVXMOLQFMO-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C=CC1=CC=CN=C1 | [CAS DataBase Reference]
1126-74-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P305+P351+P338 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [F ]
10 | [HazardClass ]
IRRITANT | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Pyridineacrylic Acid is an inhibitor of peptidylglycine amidating monooxygenase. | [Synthesis]
To a solution of butyl 3-(pyridin-3-yl)prop-2-enoate (70 g, 341 mmol, 1.00 equiv) in ethanol (150 mL) was added a solution of potassium hydroxide (40 g, 712.94 mmol, 2.09 equiv) in water (150 mL). The reaction mixture was stirred at room temperature for 20 hours. Upon completion of the reaction, the pH of the solution was adjusted to 6 with 12 M hydrochloric acid.The precipitate was collected by filtration to give 50 g (98% yield) of trans-3-(3-pyridyl)acrylic acid as an off-white solid.LCMS analysis (Method C, electrospray ionization, m/z): retention time = 0.78 min, m/z = 149.9 [M+H]+. | [References]
[1] Patent: WO2014/74715, 2014, A1. Location in patent: Paragraph 0170
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 3, p. 770 - 792 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|