5-chloropentanamide | 2455-05-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-chloropentanamide
• 英文别名: 5-chloropentamide；5-Chlor-valeriansaeure-amid；5-Chlorvaleramid；5-Chlor-pentansaeureamid；5-chloro-valeric acid amide
• CAS: 2455-05-2
• 化学式: C₅H₁₀ClNO
• mdl: MFCD11192757
• 分子量: 135.594
• InChiKey: DCPLYSRLHGHNMY-UHFFFAOYSA-N

物化性质

• 熔点：
  72-72.5 °C(Solv: benzene (71-43-2))
• 沸点：
  304.6±25.0 °C(Predicted)
• 密度：
  1.100±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-chloropentanamide 在 吡啶 、 sodium hydroxide 、 氨 作用下， 以 乙醇 为溶剂， 反应 75.5h， 生成 5'-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-ylthio)pentanamide
  参考文献：
  名称：

  1-Phenylpyrazolo[3,4-d]pyrimidines as adenosine antagonists: the effects of substituents at C4 and C6

  摘要：

  Forty-two 1-phenyl-pyrazolo[3,4-d]pyrimidines substituted at C6 with thioethers containing distal amide substituents and substituted at C4 with thiol, thiomethyl or amino were synthesized and tested for adenosine A(1) and A(2a) receptor binding. Compared with a thiol at C4, both S-methylation and conversion to an amino resulted in increased affinity at both receptors with the C4 amino compounds having the highest affinity. The C-4 region of the receptor consists of an alkyl pocket containing a hydrogen-bonding site. The study established that for high affinity at both the A(1) and A(2a) adenosine receptors the distal amide should be separated from the C6 thiol by only one carbon. In this study, 2'-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-ylthio)- N-ethyl-ethanamide (4b) had the highest affinity at the A(1) receptor with a K-i of 12.1 nM while 2'-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-ylthio)ethanamide (4a) had the highest affinity at the A(2a) receptor with a K-i of 44.9 nM. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00240-4
• 作为产物：
  描述：

  5-氯代戊酰氯 在 氨 作用下， 以 四氢呋喃 为溶剂， 生成 5-chloropentanamide
  参考文献：
  名称：

  Chemistry of N-haloamines. XXIV. Behavior of N,N-dichloroamides and N,N-dichlorocarbamates toward nucleophiles

  摘要：

  DOI：

  10.1021/ja00838a036

文献信息

• [EN] USE OF PHENOXYALKYLAMINES IN COSMETIC AND/OR DERMATOLOGICAL COMPOSITIONS<br/>[FR] UTILISATION DE PHÉNOXYALKYLAMINES DANS DES COMPOSITIONS COSMÉTIQUES ET/OU DERMATOLOGIQUES
  申请人：OREAL

  公开号：WO2010004016A1

  公开（公告）日：2010-01-14

  The invention relates to the use of compounds of the phenoxyalkylamine family of formula (I) in cosmetic and/or dermatological compositions, especially as preserving agents. The invention also relates to compositions comprising, especially as preserving agent, at least one phenoxyalkylamine of formula (I). The invention also relates to particular compounds of the phenoxyalkylamine family of formula (I) and to cosmetic and/or dermatological compositions containing them.

  该发明涉及在化妆品和/或皮肤科学组合物中使用具有式(I)的苯氧烷胺家族化合物，特别是作为防腐剂。该发明还涉及包含至少一种式(I)的苯氧烷胺作为防腐剂的组合物。该发明还涉及苯氧烷胺家族化合物的特定化合物，以及含有它们的化妆品和/或皮肤科学组合物。
• [EN] GAMMA SECRETASE MODULATORS<br/>[FR] MODULATEURS DE GAMMA SÉCRÉTASE
  申请人：SCHERING CORP

  公开号：WO2010147975A1

  公开（公告）日：2010-12-23

  This invention provides novel compounds that are modulators of gamma secretase. The compounds have the Formula I: Also disclosed are methods of modulating gamma secretase activity and methods of treating Alzheimer's Disease using the compounds of Formula I.

  这项发明提供了一种调节γ-分泌酶的新型化合物。这些化合物具有公式I：还公开了调节γ-分泌酶活性的方法以及使用公式I化合物治疗阿尔茨海默病的方法。
• [EN] PROCESS FOR THE PREPARATION OF APIXABAN<br/>[FR] PROCÉDÉ DE PRÉPARATION DE L'APIXABAN
  申请人：EGIS GYÓGYSZERGYÁR ZRT

  公开号：WO2016020711A1

  公开（公告）日：2016-02-11

  The object of the invention is a process for the preparation of 1-(4-methoxyphenyl)-7-oxo-6-[4- (2-oxopiperidin- 1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid amide of formula 1 (apixaban), as well as the intermediates used in the process.

  本发明的对象是一种制备1-(4-甲氧基苯基)-7-氧代-6-[4-(2-氧代哌啶-1-基)苯基]-4,5,6,7-四氢-1H-吡唑并[3,4-c]吡啶-3-羧酸酰胺（apixaban）的方法，以及用于该过程的中间体。
• 一种2-哌啶酮碱金属盐的制备方法
  申请人：南京正荣医药化学有限公司

  公开号：CN109970626A

  公开（公告）日：2019-07-05

  本发明公开了一种2‑哌啶酮碱金属盐的制备方法，具体涉及有机化学合成领域，具体制备步骤为：5‑卤代戊酰胺在非极性有机溶剂中环合制成2‑哌啶酮碱金属盐。本发明通过在碱金属氢化物存在下，5‑卤代戊酰胺在非极性有机溶剂中环合制成2‑哌啶酮碱金属盐化合物制备具有方法简单、成本低，纯度高、杂质和三废少，一步制成2‑哌啶酮的碱金属盐，可直接用于后续反应的优点，所制得的产物纯度高，可以直接用于后续的产品开发、生产，本发明工艺简单，原料易得，设备要求低，易于大规模工业化生产。
• 1,3,4,9B-Tetrahydro-5-methyl-2H-indeno[1,2-c]pyridines
  申请人：Sandoz Ltd.

  公开号：US03991066A1

  公开（公告）日：1976-11-09

  The invention concerns novel indenopyridine derivatives of the formula: ##SPC1## Wherein m is 1, 2, 3 or 4, and R.sub.3 is an --O--R.sub.4 group, Wherein R.sub.4 is alkyl of 1 to 5 carbon atoms, phenyl or phenylalkyl, wherein the alkyl radical is of 1 to 4 carbon atoms, or an ##EQU1## group, WHEREIN EACH OF R.sub.5 and R.sub.6 is, independently, hydrogen, alkyl of 1 to 5 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or phenyl-alkyl, wherein the alkyl radical is of 1 to 4 carbon atoms, or R.sub.5 and R.sub.6 together with the nitrogen atom form a saturated 5- or 6-membered heterocyclic ring, the heterocycle being selected from heterocycles containing 1 nitrogen atom, 1 nitrogen atom and 1 oxygen atom, and 1 nitrogen atom and a further nitrogen atom substituted by an alkyl radical of 1 to 4 carbon atoms, Useful as anti-aggressives and in the treatment of excitation conditions.

  本发明涉及一种新的茚并吡啶衍生物，其化学式如下：##SPC1## 其中m为1、2、3或4，R.sub.3为--O--R.sub.4基团，其中R.sub.4为1至5个碳原子的烷基、苯基或苯基烷基，其中烷基基团为1至4个碳原子，或者为##EQU1##基团，其中R.sub.5和R.sub.6各自独立地为氢、1至5个碳原子的烷基、3至7个碳原子的环烷基、苯基或苯基烷基，其中烷基基团为1至4个碳原子，或者R.sub.5和R.sub.6与氮原子一起形成饱和的5-或6-成员杂环环，所述杂环从含有1个氮原子的杂环、含有1个氮原子和1个氧原子的杂环以及含有1个氮原子和进一步由1至4个碳原子的烷基基团取代的另一个氮原子的杂环中选择，可用作抗攻击剂和治疗兴奋状态的药物。