choline chloride chloroformate | 92442-84-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: choline chloride chloroformate
• 英文别名: 2-(trimethylammonio)ethyl carbonochloridate chloride；(2-chlorocarbonyloxy-ethyl)-trimethyl-ammonium; chloride；(2-Chlorcarbonyloxy-aethyl)-trimethyl-ammonium; Chlorid；choline chloroformate；Ethanaminium, 2-[(chlorocarbonyl)oxy]-N,N,N-trimethyl-, chloride；2-carbonochloridoyloxyethyl(trimethyl)azanium;chloride
• CAS: 92442-84-7
• 化学式: C₆H₁₃ClNO₂*Cl
• 分子量: 202.081
• InChiKey: WJVUNKPARMGICN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.93
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-S-(2-(3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanamido)ethyl) ethanethioate 、 choline chloride chloroformate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以29.31%的产率得到[2-([[(3R)-3-[(2-[[2-(acetylsulfanyl)ethyl]carbamoyl]ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy]carbonyl]oxy)ethyl]trimethylazanium
  参考文献：
  名称：

  WO2020113209A5

  摘要：

  公开号：

  WO2020113209A5
• 作为产物：
  描述：

  氯化胆碱 生成 choline chloride chloroformate
  参考文献：
  名称：

  HUMPHREYS, ROBERT W. R.;MADISON, STEPHEN A.

  摘要：

  DOI：

文献信息

• Compositions and methods for enhanced drug delivery
  申请人：Affymax Technologies N.V.

  公开号：US05607691A1

  公开（公告）日：1997-03-04

  The present invention relates to methods of delivering pharmaceutical agents across membranes, including the skin layer or mucosal membranes of a patient. A pharmaceutical agent is covalently bonded to a chemical modifier, via a physiologically cleavable bond, such that the membrane transport and delivery of the agent is enhanced.

  本发明涉及将药物制剂传递到患者的膜层，包括皮肤层或黏膜膜层的方法。药物制剂与化学修饰剂通过生理可切割键共价结合，从而增强了药物的膜传输和传递。
• [EN] HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS<br/>[FR] DERIVES DE DIHYDROISOXAZOLE A SUBSTITUTION HYDROXYMETHYLE POUVANT SERVIR D'AGENTS ANTIBIOTIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2004078753A1

  公开（公告）日：2004-09-16

  Compounds of the formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, (I) R1a is NH(C=W)R5 or (a); W is O or S; R2 and R3 are for example H or F; R1 is for example hydrogen, or halogen; R5 is selected from hydrogen, (2-6C)alkyl (optionally substituted); R6 and R7 are independently selected from hydrogen, and (1-4C)alkyl (optionally substituted); wherein R4 is either a hydroxymethyl substituent on C-4' of the isoxazoline ring; or R4 is a hydroxymethyl substituent on C-5' of the isoxazoline ring and the stereochemistry at C-5' of the isoxazoline ring and at C-5 of the oxazolidinone ring is selected, such that the compound of formula (I) is a single diastereomer; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  公式（I）的化合物，或其药学上可接受的盐，或其体内可水解的酯，（I）中R1a是NH(C=W)R5或（a）；W是O或S；R2和R3例如是H或F；R1例如是氢或卤素；R5从氢，（2-6C）烷基（可选地取代）中选择；R6和R7独立地从氢和（1-4C）烷基（可选地取代）中选择；其中R4是异噁唑环的C-4'上的羟甲基取代基；或R4是异噁唑环的C-5'上的羟甲基取代基，且异噁唑环的C-5'和噁唑烷酮环的C-5的立体化学被选择，使得公式（I）的化合物是单一对映体；它们作为抗菌剂是有用的；并描述了它们的制备方法和含有它们的药物组合物。
• [EN] WATER-SOLUBLE ANTI-TUMOR PRODRUG, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF<br/>[FR] PROMÉDICAMENT ANTITUMORAL HYDROSOLUBLE ET COMPOSITION PHARMACEUTIQUE ET UTILISATION DE CE DERNIER<br/>[ZH] 一种水溶性抗肿瘤前药及其药物组合物和用途
  申请人：NUOMED BEIJING BIOMEDICINE CO LTD

  公开号：WO2022037704A1

  公开（公告）日：2022-02-24

  一种水溶性抗肿瘤药物的前药及其药物组合物和用途。该类抗肿瘤药物是将具有细胞毒性的活性化合物与高极性水溶性小分子—胆碱或牛磺酸或取代的胆碱或牛磺酸通过一定的连接基团在活性位点衍生化而制得，不仅具有良好的水溶性，且作为前药，衍生物的毒性显著降低，被主动摄取后在肿瘤组织中可通过特定的酶释放活性代谢物，从而可用作高效低毒的抗肿瘤药物。
• Quaternary ammonium or phosphonium peroxy carbonic acid precursors and their use in detergent bleach compositions
  申请人：UNILEVER N.V.

  公开号：EP0284132A2

  公开（公告）日：1988-09-28

  A bleach precursor compound, its peroxygen acid derivative, and detergent compositions containing these materials are disclosed herein. The bleach precursor structurally comprises a quaternized ammonium or phosphonium group linked to a carbonate moiety having a leaving group. Upon perhydrolysis in the presence of hydrogen peroxide and a basic aqueous medium, there is generated a peroxycarbonic acid bleach.

  本文公开了一种漂白剂前体化合物、其过氧碳酸衍生物以及含有这些材料的洗涤剂组合物。 这种漂白剂前体在结构上包括一个与具有离去基团的碳酸盐分子相连的季铵或鏻基团。 在过氧化氢和碱性水介质存在下进行过水解，就会生成过氧碳酸漂白剂。
• Process for preparation of quaternary ammonium and phosphonium substituted carbonic acid esters
  申请人：UNILEVER N.V.

  公开号：EP0369511A1

  公开（公告）日：1990-05-23

  A process is provided for obtaining quaternary ammonium or phosphonium substituted carbonic acid esters. The first step involves reacting the hydroxyl predecessor compound of the ester with phosgene in an aprotic organic solvent to obtain a solution of chloroformate/­hydrogen chloride complex. In a second step, the chloroformate/hydrogen chloride complex in solution is admixed with a salt whose conjugate anion, normally a phenol sulphonate, has structure L. During the admixing step, the pH is maintained no lower than 6 until all reactants have been combined to form the product ester. Thereupon, the pH is lowered to less than 5.5 to stabilize the product against hydrolysis.

  本发明提供了一种获得季铵或鏻取代碳酸酯的工艺。第一步是将酯的羟基前身化合物与光气在无相有机溶剂中反应，得到氯仿/氯化氢络合物溶液。在第二步中，将溶液中的氯仿/氯化氢络合物与共轭阴离子（通常是苯酚磺酸盐）具有 L 结构的盐混合。然后，将 pH 值降至 5.5 以下，以稳定产物，防止水解。