5-氧代-5-(3-吡啶基)戊酸 | 22971-46-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 5-氧代-5-(3-吡啶基)戊酸
• 英文名称: 5-oxo-5-(pyridin-3-yl)pentanoic acid
• 英文别名: 5-oxo-5-(3-pyridyl)pentanoic acid；5-oxo-5-pyridin-3-yl-pentanoic acid；4-Keto-4--butan-1-carbonsaeure；5-Pyridyl-(3)-5-oxo-valeriansaeure；4-Nicotinoylbuttersaeure；5-Oxo-5-(3-pyridyl)valeric acid；5-oxo-5-pyridin-3-ylpentanoic acid
• CAS: 22971-46-6
• 化学式: C₁₀H₁₁NO₃
• mdl: MFCD01320177
• 分子量: 193.202
• InChiKey: CBCASGYWHGHBHC-UHFFFAOYSA-N

物化性质

• 熔点：
  165-170 °C
• 沸点：
  423.0±25.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  5-氧代-5-(3-吡啶基)戊酸 在 palladium dihydroxide lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 39.0h， 生成 新烟碱
  参考文献：
  名称：

  动态动力学拆分和去对称化过程：哌啶的对映选择性合成的直接方法。

  摘要：

  报道了合成对映纯多取代哌啶的简单方法。它涉及直接产生已经在杂环上掺入碳取代基的手性非外消旋恶唑并[3，2-a]哌啶酮内酰胺，随后除去手性助剂。关键步骤是（R）-苯基甘醇或其他氨基醇与外消旋或手性δ-氧代（二）酸衍生物在高度立体选择性的过程中进行的环缩合反应，该过程涉及动态动力学拆分和/或非对映体或对映体酯基的去对称化。

  DOI：

  10.1002/chem.200600420
• 作为产物：
  描述：

  烟酸甲酯 、 戊二酸二乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 5-氧代-5-(3-吡啶基)戊酸
  参考文献：
  名称：

  PREPARATION METHOD FOR SYNTHESIZING S-NICOTINE FROM GLUTARATE

  摘要：

  The present invention provides a preparation method for synthesizing S-nicotine from glutarate, including: reacting nicotinate with glutarate in the presence of a base catalyst to obtain 5-carbonyl-5-(pyridin-3-yl)pentanoic acid, reacting with an amination reagent to obtain 5-oxo-5-(pyridin-3-yl)pentanamide, performing Hofmann degradation on to obtain 4-amino-1-(pyridin-3-yl)butanone, reducing a carbonyl group of the 4-amino-1-(pyridin-3-yl)butanone by using (+)-B-diisopinocampheyl chloroborane to obtain (S)-4-amino-1-(pyridin-3-yl)butan-1-ol, performing chlorination and cyclization to obtain S-demethylnicotine, and finally performing amine methylation to obtain S-nicotine.

  公开号：

  US20230009969A1

文献信息

• Piperazine and homopiperazine compounds
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20030153556A1

  公开（公告）日：2003-08-14

  Compounds are provided having a piperazine or homopiperazine ring which are useful in the treatment of thrombosis.

  提供了具有哌嗪或同源哌嗪环的化合物，这些化合物在治疗血栓症方面很有用。
• Antibodies against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and metabolites thereof
  申请人：Muller, Claude P.

  公开号：EP2016954A1

  公开（公告）日：2009-01-21

  The present invention relates to compounds, methods for their preparation, conjugates obtainable by coupling the compounds to immunogenic carriers, pharmaceutical compositions comprising the conjugates, the use of the conjugates for treating and/or preventing disorders associated with tobacco specific nitrosamine exposure, methods for the preparation of the conjugates, antibodies which can be obtained using the conjugates, a method for the preparation of the antibodies and a method of detecting 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), a metabolite or an adduct comprising a pyridyloxobutyl group derived from NNK, wherein the antibodies are employed. The present invention also relates to a method of detecting antibodies specific for NNK, non-detoxified metabolites or the above adducts thereof, wherein the conjugates are employed.

  本发明涉及化合物、其制备方法、通过将化合物偶联到免疫原载体而获得的结合物、包含所述结合物的药物组合物、利用所述结合物治疗和/或预防与烟草特异性亚硝胺暴露相关的疾病的方法、制备所述结合物的方法、利用所述结合物获得的抗体、制备抗体的方法以及检测4-（亚硝基）-1-（3-吡啶基）-1-丁酮（NNK）、来自NNK的含有吡啶氧丁基基团的代谢物或加合物的方法，其中所述抗体被使用。本发明还涉及一种检测特异于NNK、未脱毒代谢物或上述加合物的抗体的方法，其中使用所述结合物。
• Decarboxylative Intramolecular Arene Alkylation Using <i>N</i>-(Acyloxy)phthalimides, an Organic Photocatalyst, and Visible Light
  作者：Trevor C. Sherwood、Hai-Yun Xiao、Roshan G. Bhaskar、Eric M. Simmons、Serge Zaretsky、Martin P. Rauch、Robert R. Knowles、T. G. Murali Dhar

  DOI：10.1021/acs.joc.9b00432

  日期：2019.7.5

  An intramolecular arene alkylation reaction has been developed using the organic photocatalyst 4CzIPN, visible light, and N-(acyloxy)phthalimides as radical precursors. Reaction conditions were optimized via high-throughput experimentation, and electron-rich and electron-deficient arenes and heteroarenes are viable reaction substrates. This reaction enables access to a diverse set of fused, partially

  使用有机光催化剂4CzIPN，可见光和N-（酰氧基）邻苯二甲酰亚胺作为自由基前体，已经开发出分子内芳烃烷基化反应。通过高通量实验优化了反应条件，富电子和缺电子的芳烃和杂芳烃是可行的反应底物。该反应使得能够获得各种各样的熔融的，部分饱和的核，这些核在合成和药物化学中具有很高的意义。
• Enantioselective synthesis of 2-arylpiperidines from chiral lactams. A concise synthesis of (–)-anabasine
  作者：Mercedes Amat、Margalida Cantó、Núria Llor、Joan Bosch

  DOI：10.1039/b200020m

  日期：2002.2.27

  racemic aryl-delta-oxoacids with (R)-phenylglycinol stereoselectively affords chiral non-racemic bicyclic lactams, from which the enantiodivergent synthesis of (R)- and (S)-2-phenylpiperidine, the diastereodivergent synthesis of cis- and trans-3-ethyl-2-phenylpiperidine, and the enantioselective synthesis of the piperidine alkaloid (-)-anabasine is reported.

  用（R）-苯基甘氨醇立体选择性地将非手性或外消旋的芳基-δ-氧代酸进行环脱水，可得到手性的非外消旋双环内酰胺，其中，（R）-和（S）-2-苯基哌啶的对映异构体合成，顺式-和反式-3-乙基-2-苯基哌啶，以及哌啶生物碱（-）-天麻碱的对映选择性合成。
• LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：Chi Mei Corporation

  公开号：US20170152443A1

  公开（公告）日：2017-06-01

  A liquid crystal alignment agent allowing formation of an LCD element having good reliability and less residual image, a liquid crystal alignment film, and an LCD element having the liquid crystal alignment film are shown. The liquid crystal alignment agent includes a polymer (A), a photosensitive polysiloxane (B), and a solvent (C). The polymer (A) is obtained by reacting a mixture that includes a tetracarboxylic dianhydride component (a-1) and a diamine component (a-2). The photosensitive polysiloxane (B) is obtained by reacting a polysiloxane (b-1) having an epoxy group with a cinnamic acid derivative (b-2) and an aromatic heterocyclic derivative (b-3) containing nitride, oxide or sulfide.