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经验公式(希尔记法):
C7H7NO2
化学文摘社编号:
分子量:
137.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-261-8
Beilstein/REAXYS Number:
113951
MDL number:
InChI key
YNBADRVTZLEFNH-UHFFFAOYSA-N
InChI
1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
SMILES string
COC(=O)c1cccnc1
biological source
synthetic
grade
puriss.
assay
≥99.0% (GC)
form
powder or crystals (possibly with chunks)
color
white to faint yellow
bp
204 °C (lit.)
mp
39-42 °C, 42-44 °C (lit.)
solubility
H2O: 0.1 g/mL, clear
functional group
ester
Quality Level
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General description
Methyl nicotinate (or nicotinic acid methyl ester) is used as a rubefacient for the relief of pains in muscles, tendons, and joints. It is also used in food as a flavoring agent.
Application
Methyl nicotinate can be used as a precursor:
- In the asymmetric synthesis of 1-azasugars (glycosidase inhibitors) for biomedical applications.
- In the total synthesis of ±-sesbanine.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
Topical antirheumatic agents as hydroxyl radical scavengers
Billany MR, et al.
International Journal of Pharmaceutics, 124(2), 279-283 (1995)
A facile synthesis of ? -sesbanine via γ-addition of ketene silyl acetal with quaternized methyl nicotinate
Wada M, et al.
Tetrahedron Letters, 26(27), 3267-3270 (1985)
Selective fowler reductions: asymmetric total syntheses of isofagomine and other 1-azasugars from methyl nicotinate
Zhao G, et al.
Organic Letters, 3(2), 201-203 (2001)
Mona Syhre et al.
Tuberculosis (Edinburgh, Scotland), 89(4), 263-266 (2009-06-02)
Recent figures show that tuberculosis (TB) is advancing and killing more than two million people annually, yet no breakthrough in rapid diagnostics is in sight. Volatile metabolites of Mycobacterium tuberculosis (MTB) may provide just that. It is well established that
Stability of methylnicotinate in aqueous solution as utilized in the'niacin patch test'
Ross BM and Katzman M
BMC Research Notes, 1(1), 89-89 (2008)
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