N,N,N-trimethyl-[3-(methylamino)]-1-propanaminium bromide | 61435-09-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N-trimethyl-[3-(methylamino)]-1-propanaminium bromide
• 英文别名: N,N,N-Trimethyl-3-(methylamino)propan-1-aminium bromide；trimethyl-[3-(methylamino)propyl]azanium;bromide
• CAS: 61435-09-4
• 化学式: Br*C₇H₁₉N₂
• 分子量: 211.145
• InChiKey: WEMUGNUGCRPCQB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.69
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三甲氧基酯 、 N,N,N-trimethyl-[3-(methylamino)]-1-propanaminium bromide 在 乙腈 、 desired product 作用下， 以 水 为溶剂， 反应 15.0h， 生成 3-[N'-(3-Hydroxypropyl)-N'-methylamino]-N,N,N-trimethyl-1-propanaminium Bromide
  参考文献：
  名称：

  Process for preparing

  摘要：

  线性、无支链、非交联聚合物，特别是聚-[{甲基-(3-三甲基氨丙基)亚胺}三亚甲基二卤化物]，可以通过聚合新型单体3-[N'-(3-卤代丙基)-N'-甲基氨基]-N,N,N-三甲基-1-丙胺盐酸盐或其酸加成盐在排除氧气的环境中制备，例如在氮气或氩气下。该聚合物，特别是在末端基团改性后，是一种优秀的口服抗胆固醇药物。

  公开号：

  US04156693A1
• 作为产物：
  描述：

  N,N,N-trimethyl-[3-(methylamino)]-1-propanaminium bromide hydrobromide 、 sodium hydroxide 在 溴化钠 、 isopropanol-ether 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 N,N,N-trimethyl-[3-(methylamino)]-1-propanaminium bromide
  参考文献：
  名称：

  Process for preparing

  摘要：

  线性、无支链、非交联聚合物，特别是聚-[{甲基-(3-三甲基氨丙基)亚胺}三亚甲基二卤化物]，可以通过聚合新型单体3-[N'-(3-卤代丙基)-N'-甲基氨基]-N,N,N-三甲基-1-丙胺盐酸盐或其酸加成盐在排除氧气的环境中制备，例如在氮气或氩气下。该聚合物，特别是在末端基团改性后，是一种优秀的口服抗胆固醇药物。

  公开号：

  US04156693A1

文献信息

• Process for preparing
  申请人：Merck & Co., Inc.

  公开号：US04156693A1

  公开（公告）日：1979-05-29

  Novel linear, unbranched, non-cross-linked polymers particularly poly-[methyl-(3-trimethylammoniopropyl)iminio}trimethylene dihalide] are prepared by the polymerization of the novel monomer, 3-[N'-(3-halopropyl)-N'-methylamino]-N,N,N-trimethyl-1-propanaminium halide, or an acid addition salt thereof preferably in an oxygen excluded environment, e.g., under nitrogen or argon. The polymer, especially after modification of terminal groups, is an excellent oral anticholesterolemic.

  线性、无支链、非交联聚合物，特别是聚-[甲基-(3-三甲基氨丙基)亚胺}三亚甲基二卤化物]，可以通过聚合新型单体3-[N'-(3-卤代丙基)-N'-甲基氨基]-N,N,N-三甲基-1-丙胺盐酸盐或其酸加成盐在排除氧气的环境中制备，例如在氮气或氩气下。该聚合物，特别是在末端基团改性后，是一种优秀的口服抗胆固醇药物。
• Bile acid sequestering composition containing
  申请人：Merck & Co., Inc.

  公开号：US04205064A1

  公开（公告）日：1980-05-27

  Novel polymers having a linear backbone which is free from both branching and cross-linking, comprising quaternized nitrogen atoms linked to each other through trimethylene groups. By the term "linear backbone" is meant that the polymer has only acyclic groups, i. e. trimethylene, linking the nitrogen atoms in a single continuous chain; the polymer is free from "branching" when it has no repeating monomer units extending from the polymer backbone; and it is free from "cross-linking" when there is no joining of two linear backbones. These polymers are useful as antimicrobials, flocculating agents, antistatic agents, electroconductive agents for coating paper, chelating agents and bile acid binding agents, as well as in similar applications where their high charge to weight ratio and fully accessible nitrogen atoms can be employed. The polymers are obtained by the polymerization of dihydro-oxazine, reductive alkylation of the resulting polymer, followed by quaternization.

  具有线性骨架且不含分支和交联的新型聚合物，包含通过三亚甲基基团相互连接的季铵氮原子。所谓“线性骨架”是指聚合物仅具有无环基团，即三亚甲基，将氮原子链接在单一连续链中；当聚合物的骨架上没有重复单体单位时，它不含“分支”；当没有连接两个线性骨架时，它不含“交联”。这些聚合物可用作抗微生物、絮凝剂、抗静电剂、涂覆纸张的导电剂、螯合剂和胆酸结合剂，以及在类似应用中，它们的高电荷重比和完全可访问的氮原子可以被应用。通过二氢噁唑的聚合，所得聚合物的还原烷基化，随后进行季铵化，来获得这些聚合物。
• 3-[N'-(3-Halopropyl)-N-'-methylamino]-N,N,N-trimethyl-1-propanaminium
  申请人：Merck & Co., Inc.

  公开号：US04016209A1

  公开（公告）日：1977-04-05

  Novel linear, unbranched, non-cross-linked polymers particularly poly-[methyl-(3-trimethylammoniopropyl)imino} trimethylene dihalide] are prepared by the polymerization of the novel monomer, 3-[N'-(3-halopropyl)-N'-methylamino]-N,N,N-trimethyl-l-propanaminium halide, or an acid addition salt thereof preferably in an oxygen excluded environment, e.g., under nitrogen or argon. The polymer, especially after modification of terminal groups, is an excellent oral anticholesterolemic.

  线性、无支链、非交联聚合物，特别是聚-[甲基-(3-三甲基胺丙基)亚胺基}三亚甲基二卤化物]，通过聚合新型单体3-[N'-(3-卤代丙基)-N'-甲基氨基]-N,N,N-三甲基-1-丙胺卤化物或其酸加成盐在氧气排除的环境下制备，例如在氮气或氩气下。该聚合物，特别是在改性端基后，是一种优秀的口服降胆固醇药物。
• Poly[{alkyl-(3-ammoniopropyl)iminio}trimethylene dihalides] and process
  申请人：Merck & Co., Inc.

  公开号：US04098726A1

  公开（公告）日：1978-07-04

  Novel polymers having a linear backbone which is free from both branching and cross-linking, comprising quaternized nitrogen atoms linked to each other through trimethylene groups. By the term "linear backbone" is meant that the polymer has only acyclic groups, i. e. trimethylene, linking the nitrogen atoms in a single continuous chain; the polymer is free from "branching" when it has no repeating monomer units extending from the polymer backbone; and it is free from "cross-linking" when there is no joining of two linear backbones. These polymers are useful as antimicrobials, flocculating agents, antistatic agents, electroconductive agents for coating paper, chelating agents and bile acid binding agents, as well as in similar applications where their high charge to weight ratio and fully accessible nitrogen atoms can be employed. The polymers are obtained by the polymerization of dihydro-oxazine, reductive alkylation of the resulting polymer, followed by quaternization.

  具有线性骨架的新型聚合物，其不具有分支和交联，包括通过三亚甲基基团相互连接的季铵氮原子。所谓“线性骨架”是指聚合物仅具有无环基团，即三亚甲基，将氮原子在单一连续链中连接起来；当聚合物没有从聚合物骨架延伸的重复单体单元时，它是不具有“分支”的；当没有连接两个线性骨架时，它是不具有“交联”的。这些聚合物可用作抗微生物、絮凝剂、抗静电剂、用于涂覆纸张的导电剂、螯合剂和胆酸结合剂，以及在类似应用中，它们的高电荷重比和完全可访问的氮原子可以被利用。该聚合物是通过二氢噁唑的聚合、得到的聚合物的还原烷基化，随后进行季铵化而获得的。
• Process for preparing monomer of bile acid sequestrant polymer
  申请人：Merck & Co., Inc.

  公开号：US04093657A1

  公开（公告）日：1978-06-06

  The invention disclosed herein relates to a novel process for preparing the monomer, 3-[N-(3-chloropropyl)methylamino]-N,N,N-trimethyl-propan-1-aminium chlorid e, which comprises reacting N,N-bis(3-chloropropyl)methylamine with trimethylamine. The 3,3-ionene monomer thus obtained is a key intermediate for making the linear, unbranched, non-cross-linked polymer, poly-[methyl-(3-trimethylammoniopropyl)imino}trimethylene dichloride], which is valuable as an oral bile acid sequestrant.

  本发明涉及一种制备单体3-[N-(3-氯丙基)甲基氨基]-N,N,N-三甲基丙基-1-铵盐的新工艺，其中包括将N,N-双(3-氯丙基)甲基胺与三甲胺反应。因此得到的3,3-离子单体是制备线性、非支链、非交联聚合物聚-[甲基-(3-三甲基胺基丙基)亚胺}三亚甲基二氯化物]的关键中间体，该聚合物作为口服胆酸吸附剂具有重要价值。