| Identification | More | [Name]
METHYL ISONICOTINATE | [CAS]
29800-89-3 | [Synonyms]
ISONICOTINIC ACID METHYL ESTER
METHYL-2-(PYRIDIN-4-YL)ACETATE
METHYL 4-PYRIDINECARBOXYLATE
METHYL 4-PYRIDYLACETATE
METHYL ISONICOTINATE
METHYL PYRIDINE-4-CARBOXYLATE
PYRIDINE-4-CARBOXYLIC ACID METHYL ESTER
PYRIDINE-4-YL-ACETIC ACID METHYL ESTER
RARECHEM AL BF 0097
4-Picolinicacidmethylester
Methyl4-PyridineCarBonate
Methyl 4-Pyridinylacetate
4-Pyridineacetic acid methyl ester
4-Pyridinylacetic acid methyl ester | [EINECS(EC#)]
219-546-8 | [Molecular Formula]
C7H7NO2 | [MDL Number]
MFCD00006427 | [Molecular Weight]
137.14 | [MOL File]
29800-89-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
8-8.5 °C(lit.) | [Boiling point ]
207-209 °C(lit.) | [density ]
1.161 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.512(lit.)
| [Fp ]
180 °F
| [storage temp. ]
2-8°C
| [form ]
liquid | [pka]
5.27±0.10(Predicted) | [color ]
Orange | [InChI]
InChI=1S/C8H9NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h2-5H,6H2,1H3 | [InChIKey]
ZOKQLMMQYVXILS-UHFFFAOYSA-N | [SMILES]
C1=NC=CC(CC(OC)=O)=C1 | [CAS DataBase Reference]
29800-89-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P280-P301+P312-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [F ]
10 | [HS Code ]
2933399990 |
| Hazard Information | Back Directory | [Synthesis]
Concentrated sulfuric acid (1 g) was added slowly and dropwise to a solution of 2-(pyridin-4-yl)acetic acid (4 g, 29.2 mmol) in methanol (40 mL). The reaction mixture was heated to reflux and maintained for about 2 hours. Upon completion of the reaction, methanol was removed by rotary evaporator under reduced pressure. Water was added to the residue and extracted with ethyl acetate. The organic phases were combined, washed with saturated brine and dried over anhydrous sodium sulfate. After filtration, the organic phase was concentrated under reduced pressure to give the crude product. Finally, the crude product was purified by column chromatography (petroleum ether: ethyl acetate = 10:1) to afford methyl pyridine-4-acetate (3.5 g, yield: 79.55%). | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 1, p. 59 - 63
[2] Patent: US2014/200215, 2014, A1. Location in patent: Paragraph 1253; 1254 |
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Jia Xing Isenchem Co.,Ltd
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