Ethyl Picolinate 2-吡啶甲酸乙酯

CAS 2524-52-9 MFCD00006292

化学结构图

2524-52-9
SMILES: CCOC(=O)c1ccccn1

化学属性

Mol. FormulaC8H9NO2
Mol. Weight151.16
Density1.119
Refractive index1.5090 to 1.5110
Flash Point107°C
TSCAYes
Boiling Point243.7°C at 760 mmHg
Melting Point2°C
SolubilityMISCIBLE

别名和识别编码

Chemical NameEthyl Picolinate
CAS Number2524-52-9
Alfabeta NameETHYLPICOLINATE 2-
MDL NumberMFCD00006292
Synonym Ethyl 2-picolinate {LY} Ethyl 2-picolinate {} {LY} Ethyl 2-picolinate {} {} {LY} Ethyl 2-picolinate {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 2-picolinate {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number219-758-0
Beilstein Registry Number122485
PubChem Substance ID17307
Reaxys-RN122485
Chemical Name Translation2-吡啶甲酸乙酯
InChIKeyFQYYIPZPELSLDK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00174068
InChIInChI=1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
Canonical SMILESC1=C(C(OCC)=O)N=CC=C1
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分类

  • Heterocycles
  • {SNA} Building Blocks, C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • Aromatics

产品应用

  • Used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.

相关文献及参考

  • Ciayadi, R., et al.: Bioorg. Med. Chem. Lett., 21, 5642 (2011),
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquid

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • TCI Shanghai:2-吡啶甲酸乙酯 Ethyl Picolinate,>;98.0%(GC)(2524-52-9)
  • MOL 文件:2524-52-9.mol
  • Sigma Aldrich:2524-52-9(sigmaaldrich)
  • 图谱信息:2-吡啶甲酸乙酯(2524-52-9)质谱(MS) 2-吡啶甲酸乙酯(2524-52-9)红外图谱(IR1) 2-吡啶甲酸乙酯(2524-52-9)核磁图( 1 HNMR) 2-吡啶甲酸乙酯(2524-52-9)核磁图( 13 CNMR)
  • 检测方法:GC,NMR,HPLC
  • Acros Organics:2-吡啶甲酸乙酯 Ethyl picolinate, 99%(2524-52-9)
  • Alfa Aesar:吡啶-2-甲酸乙酯,99% Ethyl picolinate, 99%(2524-52-9)
  • 海关编码:29333999
  • MSDS 信息:Ethyl pyridine-2-carboxylate(2524-52-9).msds
  • 下游产品:4-氯-四吡啶 --> 皮考林乙酸乙酯
  • 2-吡啶甲酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1026 乙基吡啶甲酯 Ethyl Pyridine-2-carboxylate 25G 560元 2010/06/21 118860250 2-吡啶甲酸乙酯 Ethyl picolinate 99% 25 ML 737元 2010/06/21 118861000 2-吡啶甲酸乙酯 Ethyl picolinate 99% 100 ML 2396元

系列性分类

  1. C6
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶