N-sec-butyl-β-alanine nitrile | 21539-52-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-sec-butyl-β-alanine nitrile
• 英文别名: N-sec-Butyl-β-alanin-nitril；3-sek.-Butylamino-propionitril；3-sek.-Butylamino-propionsaeure-nitril；3-(sec-butylamino)-propionitrile；3-(Sec-butylamino)propanenitrile；3-(butan-2-ylamino)propanenitrile
• CAS: 21539-52-6
• 化学式: C₇H₁₄N₂
• mdl: MFCD01475812
• 分子量: 126.202
• InChiKey: RZEBBRPGHWEYBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  N-sec-butyl-β-alanine nitrile 在 乙醚 、 镍 作用下， 125.0 ℃ 、12.26 MPa 条件下， 生成 N-isopropyl-N-methyl-propanediyldiamine
  参考文献：
  名称：

  2-甲氧基-6-氯-9-（N-取代的氨基）-啶; 衍生自环状仲胺的化合物。

  摘要：

  DOI：

  10.1021/ja01214a012
• 作为产物：
  描述：

  仲丁胺 、 丙烯腈 以100%的产率得到N-sec-butyl-β-alanine nitrile
  参考文献：
  名称：

  [EN] DIHYDROURACIL COMPOUNDS AS ANTI-ICTOGENIC OR ANTI-EPILEPTOGENIC AGENTS
  [FR] COMPOSES DE DIHYDRO-URACILE UTILISES COMME AGENTS ANTI-ICTOGENES OU ANTI-EPILEPTOGENES

  摘要：

  公开号：

  WO2004009559A3

文献信息

• Cyanoalkylamino-amido benzophenones
  申请人：Cassella Farbwerke Mainkur Akt

  公开号：US03950383A1

  公开（公告）日：1976-04-13

  The present invention relates to pharmacologically valuable new benzophenone derivatives having a pronounced sedative action on the central nervous system and some of which also possess muscle-relaxing and aggression-inhibiting properties. These new derivatives have the structural formula ##SPC1## And their addition salts, in which R.sub.1 and R.sub.2 are substituents selected from the group consisting of hydrogen, alkyl having 1-5 carbon atoms, alkenyl having 2 to 4 carbon atoms, alkinyl having 2 to 4 carbon atoms or .beta.-bromoallyl (--CH.sub.2 --CBr = CH.sub.2) ; R.sub.3 is --CN; n is an integer selected from 1 and 2; and m is an integer selected from 1, 2 and 3, wherein the rings A and B may be substituted, ring A being substituted preferably with a halogen such as chlorine or with nitro, trifluoromethyl, methyl, methoxy or methylmercapto, preferably in the 5 position, and ring B being preferably substituted in the 2' position with chlorine or fluorine. The radical R.sub.1 preferably signify hydrogen or a methyl, ethyl or propargyl group, the radicals for R.sub.2 preferably signify hydrogen or a methyl, allyl or an n-butyl group. C compounds represented by the above structural formula may be produced by reacting a compound represented by the formula ##SPC2## With a compound having the formula Y -- C.sub.m H.sub.2m -- R.sub.3, one of X and Y signifying the substituent R.sub.2 -- NH -- and the other signifying a halogen atom, preferably a bromine or chlorine atom, so as to form the above specified benzophenone derivative with the elimination of H -- Hal, R.sub.1, R.sub.2, R.sub.3, n and m being as defined above, and the rings A and B being optionally substituted as discussed above. The hydrogen halide which is eliminated is advantageously bound by the addition of an acid-binding agent, as for example, a molar excess of the amine used in the reaction or, for example, triethylamine, dimethylaniline, potassium or sodium carbonate or sodium bicarbonate. The reaction is carried out in a suitable solvent, preferably at an elevated temperature, typically the reflux temperature of the solvent used.

  本发明涉及具有明显镇静作用于中枢神经系统的药理学上有价值的新苯酮衍生物，其中一些还具有肌肉松弛和抑制攻击性质。这些新衍生物具有结构式##SPC1##及其加合盐，其中R.sub.1和R.sub.2是从氢，具有1-5个碳原子的烷基，具有2到4个碳原子的烯基，具有2到4个碳原子的炔基或.beta.-溴丙烯基（--CH.sub.2 --CBr = CH.sub.2）中选择的取代基；R.sub.3是--CN；n是选自1和2的整数；m是选自1、2和3的整数，其中环A和环B可以被取代，环A取代物最好是氯或硝基，三氟甲基，甲基，甲氧基或甲硫基，最好在5位，环B最好在2'位取代氯或氟。基团R.sub.1最好表示氢或甲基，乙基或丙炔基，基团R.sub.2最好表示氢或甲基，烯丙基或正丁基。上述结构式所代表的C化合物可以通过将由下式表示的化合物与具有下式Y -- C.sub.m H.sub.2m -- R.sub.3的化合物反应来制备，其中X和Y中的一个表示取代基R.sub.2 -- NH --，另一个表示卤原子，最好是溴或氯原子，以形成上述指定的苯酮衍生物，消除H -- Hal，R.sub.1，R.sub.2，R.sub.3，n和m如上所定义，环A和环B如上所述可能被取代。消除的氢卤酸可通过添加酸结合剂结合，例如，在反应中使用的胺的过量摩尔量，例如三乙胺，二甲苯胺，碳酸钾或碳酸钠。反应在适当的溶剂中进行，最好在升高的温度下进行，通常是所用溶剂的回流温度。
• Ophthalmic Compositions for Treating Ocular Hypertension
  申请人：Doherty James B.

  公开号：US20090062280A1

  公开（公告）日：2009-03-05

  This invention relates to the use of potent potassium channel blockers or a formulation thereof in the treatment of glaucoma and other conditions which leads to elevated intraocular pressure in the eye of a patient. This invention also relates to the use of such compounds to provide a neuroprotective effect to the eye of mammalian species, particularly humans.

  本发明涉及在治疗青光眼和其他导致患者眼内压升高的疾病中使用强效钾通道阻滞剂或其配方。本发明还涉及使用这些化合物在哺乳动物，特别是人类的眼中提供神经保护作用。
• [EN] DIHYDROURACIL COMPOUNDS AS ANTI-ICTOGENIC OR ANTI-EPILEPTOGENIC AGENTS<br/>[FR] COMPOSES DE DIHYDRO-URACILE UTILISES COMME AGENTS ANTI-ICTOGENES OU ANTI-EPILEPTOGENES
  申请人：UNIV KINGSTON

  公开号：WO2004009559A3

  公开（公告）日：2004-04-01
• Synthetic Antimalarials. The Preparation of Certain 4-Aminoquinolines¹
  作者：Nathan L. Drake、Hugh J. Creech、John A. Garman、Stuart T. Haywood、Richard M. Peck、John O. van Hook、Edward Walton

  DOI：10.1021/ja01211a021

  日期：1946.7
• BAJRAMOV G. K.; SULTANOV R. A., V SB. ZHPOKSID. MONOMERY I EHPOKSID. SMOLY. ZHAKU, ZHLM, 1975, 52-57
  作者：BAJRAMOV G. K.、 SULTANOV R. A.

  DOI：——

  日期：——