3-chloropentanoic acid | 51637-47-9

• 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: 3-chloropentanoic acid
• 英文别名: 3-chlorovaleric acid；2-chlorobutanecarboxylic acid；3-Chlor-valeriansaeure；Pentanoic acid, 3-chloro-
• CAS: 51637-47-9
• 化学式: C₅H₉ClO₂
• mdl: MFCD00234137
• 分子量: 136.578
• InChiKey: OVLLWBPWBDJZIZ-UHFFFAOYSA-N

物化性质

• 熔点：
  33°C
• 沸点：
  181.12°C (rough estimate)
• 密度：
  1.1484

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-chloro-2-fluoro-5-sulfanylphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 、 3-chloropentanoic acid 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以80%的产率得到2-({2-chloro-5-[3,5-dimethyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl]-4-fluorophenyl}sulfanyl)butanoic acid
  参考文献：
  名称：

  SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS

  摘要：

  本发明涉及取代噻吩基尿嘧啶的通式(I)或其盐(I)，其中通式(I)中的基团如描述中定义，以及作为除草剂，特别是用于控制作物中的杂草和/或杂草草本的用途，以及作为植物生长调节剂用于影响栽培植物作物的生长。

  公开号：

  US20200315174A1
• 作为产物：
  描述：

  戊酰胺 在 sodium persulfate 、 copper dichloride 、 nickel dichloride 作用下， 以 水 为溶剂， 反应 15.0h， 生成 3-chloropentanoic acid
  参考文献：
  名称：

  Nikishin, Gennady I.; Svitanko, Igor V.; Troyansky, Emmanuil I., Journal of the Chemical Society. Perkin transactions II, 1983, p. 595 - 602

  摘要：

  DOI：

文献信息

• Practical and Selective sp ³ C−H Bond Chlorination via Aminium Radicals
  作者：Alastair J. McMillan、Martyna Sieńkowska、Piero Di Lorenzo、Gemma K. Gransbury、Nicholas F. Chilton、Michela Salamone、Alessandro Ruffoni、Massimo Bietti、Daniele Leonori

  DOI：10.1002/anie.202100030

  日期：2021.3.22

  also the fine‐tuning of physicochemical and biological properties of drugs, agrochemicals and polymers. We report here a general and practical photochemical strategy enabling the site‐selective chlorination of sp3 C−H bonds. This process exploits the ability of protonated N‐chloroamines to serve as aminium radical precursors and also radical chlorinating agents. Upon photochemical initiation, an efficient

  将氯原子引入有机分子对于工业化学品的制造、先进合成中间体的精制以及药物、农用化学品和聚合物的物理化学和生物特性的微调至关重要。我们在这里报告了一种通用且实用的光化学策略，能够实现 sp 3 C−H 键的位点选择性氯化。该过程利用了质子化的N-氯胺作为铵自由基前体和自由基氯化剂的能力。在光化学引发后，建立了有效的自由基链传播，由于存在大量兼容的官能团，因此允许多种底物的官能化。通过适当选择铵基，能够协同最大化 H 原子转移过渡态中的极性和空间效应，为自由基 sp 3 C−H 氯化提供了已知的最高选择性。
• Biphenylylpropionic acid derivative, process for preparing the same and pharmaceutical composition containing the same
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：EP0103265A2

  公开（公告）日：1984-03-21

  Biphenylylpropionic acid derivatives of the formula: wherein R is an alkylcarbonyloxyalkyl group or an alkenylcarbonyloxyalkyl group having the formula: wherein R1 is hydrogen atom or a lower alkyl group having 1 to 5 carbon atoms, R2 is an alkyl group having 1 to 15 carbon atoms or an alkenyl group having 2 to 8 carbon atoms, and m is 0 or an integer of 1, provided that when R1 is a lower alkyl group, m is 0, or a lactone having the formula: wherein R3 and R4 are hydrogen atom or a lower alkyl group having 1 to 2 carbon atoms, and n is an integer of 1 or 2. The compounds have excellent anti-inflammatory, analgesic and antipyretic activities. Moreover, the compounds have no irritation, rapid and long acting and high safety margin.

  公式如下的双苯基丙酸衍生物： 其中R是具有以下式子的烷基羧酸氧烷基或烯基羧酸氧烷基： 其中R1是氢原子或具有1到5个碳原子的低烷基，R2是具有1到15个碳原子的烷基或具有2到8个碳原子的烯基，m为0或1的整数，但当R1为低烷基时，m为0，或具有以下式子的内酯： 其中R3和R4是氢原子或具有1到2个碳原子的低烷基，n为1或2的整数。这些化合物具有出色的抗炎、镇痛和退烧活性。此外，这些化合物无刺激性，作用迅速且持久，安全性高。
• [EN] METHODS OF PRODUCING PYRAZOLE COMPOUNDS<br/>[FR] PROCÉDÉS DE PRODUCTION DE COMPOSÉS PYRAZOLE
  申请人：TORRENT PHARMACEUTICALS LTD

  公开号：WO2020058945A1

  公开（公告）日：2020-03-26

  The present invention is directed to methods of producing substituted pyrazole based compounds through novel intermediates and unique processes for preparing such intermediates which enables synthesis of final product through commercially viable route of synthesis. The present invention is also directed to novel methods of producing substituted pyrazole based thyroid like compounds, and solid forms of 3-4-[(7-hydroxy-6-methyl-indan-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-propanoic acid, its pharmaceutical compositions, and methods of preparation thereof.

  本发明涉及通过新颖的中间体和独特的制备过程生产取代吡唑基化合物的方法，使得通过商业可行的合成路线合成最终产物成为可能。本发明还涉及生产取代吡唑基甲状腺样化合物的新颖方法，以及3-4-[(7-羟基-6-甲基-茚-4-基)甲基]-3,5-二甲基-1H-吡唑-1-基}-丙酸及其药物组合物的固态形式，以及其制备方法。
• INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE
  申请人：Hurley Timothy Brian

  公开号：US20090203694A1

  公开（公告）日：2009-08-13

  The present invention relates to compounds that are selective and/or potent inhibitors of UPPS. In addition to compounds which inhibit UPPS, the invention also provides pharmaceutical compositions comprising these compounds and methods of using these compounds for treating bacterial disease, such as bacterial infection.

  本发明涉及一种选择性和/或强效抑制UPPS的化合物。除了抑制UPPS的化合物外，本发明还提供包含这些化合物的药物组合物以及使用这些化合物治疗细菌性疾病（如细菌感染）的方法。
• Process for the oligomerization of ethylene
  申请人：GULF RESEARCH & DEVELOPMENT COMPANY

  公开号：EP0046329A1

  公开（公告）日：1982-02-24

  Ethylene is oligomerized by contacting ethylene under oligomerization conditions with a nickel ylide defined by the following Formula I: wherein R1, R2, R3, R4, R5, R6, R7 and R8 are either alike or different members selected from the group consisting of hydrogen, alkyl radicals having from about one to about 24 carbon atoms, preferably from about one to about 10 carbon atoms; aryl radicals having from about six to about 20 carbon atoms, preferably from about six to about 10 carbon atoms; alkenyl radicals having from about two to about 30 carbons atoms, preferably from about two to about 20 carbon atoms; cycloalkyl radicals having from about three to about 40 carbon atoms, preferably from about three to about 30 carbon atoms; aralkyl and alkaryl radicals having from about six to about 40 carbon atoms, preferably from about six to about 30 carbon atoms; a halogen radical selected from the group consisting of fluorine, chlorine, bromine and iodine, preferably chlorine; a hydroxyl group; an alkoxy or aryloxy group; and a hydrocarbyl group, such as defined above, carrying halogen, hydroxyl or alkoxy or aryloxy; provided that at least one, preferably from about one to about four, of each of R1, to R8 is a sulfonato group (-SO3-) or an alkyl, aryl, alkenyl, cycloalkyl, aralkyl or alkaryl group carrying a sulfonato group; M is sulfur or oxygen, preferably oxygen; E is phosphorus, arsenic, antimony or nitrogen, preferably phosphorus; and F is phosphorus, arsenic or antimony, preferably phosphorus. This process is characterized by a relatively high reaction rate at low temperatures and pressures and results in the production of relatively high proportions of desirable trimer, tetramer, pentamer, and higher olefinic products.

  在低聚条件下，将乙烯与下式 I 所定义的镍酰亚胺接触，可使乙烯低聚： 其中 R1、R2、R3、R4、R5、R6、R7 和 R8 要么是相同的成员，要么是不同的成员，它们选自由氢、具有约 1 至约 24 个碳原子（最好是约 1 至约 10 个碳原子）的烷基、具有约 6 至约 20 个碳原子（最好是约 6 至约 10 个碳原子）的芳基组成的组；具有约 2 至约 30 个碳原子，最好是约 2 至约 20 个碳原子的烯基； 具有约 3 至约 40 个碳原子，最好是约 3 至约 30 个碳原子的环烷基； 具有约 6 至约 40 个碳原子，最好是约 6 至约 30 个碳原子的芳基和烷芳基；从氟、氯、溴和碘（最好是氯）组成的组中选出的卤素基；羟基；烷氧基或芳氧基；以及烃基，如上文所定义的，带有卤素、羟基或烷氧基或芳氧基的烃基；R1至R8中至少有一个，最好是约一个至约四个，是磺酸基（-SO3-）或带有磺酸基的烷基、芳基、烯基、环烷基、芳基或烷芳基；M是硫或氧，最好是氧；E是磷、砷、锑或氮，最好是磷；F是磷、砷或锑，最好是磷。该工艺的特点是在低温低压下反应速度相对较快，可生产出比例相对较高的理想三聚体、四聚体、五聚体和更高的烯烃产品。