2-(苄氨基)乙基硫酸氢 | 2133-07-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(苄氨基)乙基硫酸氢
• 英文名称: 2-(benzylammonio)ethyl sulfate
• 英文别名: 2-(benzylazaniumyl)ethyl sulfate
• CAS: 2133-07-5
• 化学式: C₉H₁₃NO₄S
• 分子量: 231.273
• InChiKey: COMXZAIDKIXIKT-UHFFFAOYSA-N

物化性质

• 熔点：
  230-231 °C
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2922199090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338+P310,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H315,H318,H335

反应信息

• 作为反应物：
  描述：

  2-(苄氨基)乙基硫酸氢 在 sodium t-butanolate 作用下， 生成
  参考文献：
  名称：

  Practical Asymmetric Synthesis of an Edivoxetine·HCl Intermediate via an Efficient Diazotization Process

  摘要：

  A convergent synthesis of (S)-(4-benzylmorpholin-2-yl)(morpholino)methanone methanesulfonate (1), a key regulatory starting material for edivoxetine HCl, was developed at Eli Lilly & Company. This novel synthesis utilizes d-serine as the source of chirality, which is preserved throughout the synthesis. Key features include the development of a scalable diazotization process to produce (S)-epoxy acid 7, which was optimized to improve the process safety profile. The final (S)-morpholino acid intermediate 11 was converted to the title compound using T3P with >99.9% purity in 75% yield. Life cycle analysis of the new route revealed a 69% reduction in global warming potential (GWP) for solvent usage relative to the prior route of manufacture.

  DOI：

  10.1021/acs.oprd.5b00014
• 作为产物：
  描述：

  N-苄基乙醇胺 生成 2-(苄氨基)乙基硫酸氢
  参考文献：
  名称：

  酯类LIX的形成与转化研究。制备单酯类氨基磺酸和硫磺的超氧化物歧化酶

  摘要：

  在减压下于180-200°加热的氨基醇硫酸氢盐生成相应的硫酸单酯。

  DOI：

  10.1002/hlca.19650480420

文献信息

• Modular One-Step Three-Component Synthesis of Tetrahydroisoquinolines Using a Catellani Strategy
  作者：Guangyin Qian、Miao Bai、Shijun Gao、Han Chen、Siwei Zhou、Hong-Gang Cheng、Wei Yan、Qianghui Zhou

  DOI：10.1002/anie.201806780

  日期：2018.8.20

  Reported is a modular one‐step three‐component synthesis of tetrahydroisoquinolines using a Catellani strategy. This process exploits aziridines as the alkylating reagents, through palladium/norbornene cooperative catalysis, to enable a Catellani/Heck/aza‐Michael addition cascade. This mild, chemoselective, and scalable protocol has broad substrate scope (43 examples, up to 90 % yield). The most striking

  报告的是使用Catellani策略的模块化一步法三组分合成四氢异喹啉。该过程通过钯/降冰片烯协同催化，利用氮丙啶作为烷基化试剂，从而实现Catellani / Heck / Aza-Michael加成级联反应。这种温和，化学选择性和可扩展的方案具有广泛的底物范围（43个实例，产率高达90％）。该方案最引人注目的功能是观察到的2-烷基和2-芳基取代的氮丙啶分别具有1,3-顺式取代和1,4-顺式取代的四氢异喹啉类的优异的区域选择性和非对映选择性。而且，这是具有高步骤和原子经济性的通用方法。
• [EN] A PROCESS FOR THE PREPARATION OF MORPHOLINO SULFONYL INDOLE DERIVATIVES<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE DÉRIVÉS DE MORPHOLINOSULFONYLINDOLE
  申请人：PIRAMAL HEALTHCARE LTD

  公开号：WO2012143874A1

  公开（公告）日：2012-10-26

  The present invention relates to a process for the preparation of the compounds of formula (I) which are morpholino sulphonyl indole derivatives. The compounds of formula (I) are capable of inhibiting, modulating or regulating Insulin-Like-Growth Factor I Receptors or Insulin Receptors. The present invention also relates to the processes for preparation of the pharmaceutically acceptable salts of the compounds of formula (I).

  本发明涉及一种制备式(I)化合物的方法，这些化合物是吗啡啶磺酰基吲哚衍生物。式(I)化合物能够抑制、调节或调控胰岛素样生长因子I受体或胰岛素受体。本发明还涉及制备式(I)化合物的药用可接受盐的方法。
• Piperazine derivatives
  申请人：Take Kazuhiko

  公开号：US20060014948A1

  公开（公告）日：2006-01-19

  This invention relates to piperazine derivatives of the formula: wherein each symbol is as defined in the description, and its pharmaceutically acceptable salt, to processes for preparation thereof, to pharmaceutical composition comprising the same, and to a use of the same for treating or preventing Tachykinin-mediated diseases in human being or animals.

  这项发明涉及以下式的哌嗪衍生物： 其中每个符号如描述中所定义，并且其药用可接受盐，制备方法，包含相同物质的药物组合物，以及用于治疗或预防人类或动物的Tachykinin介导疾病的用途。
• INHIBITORS OF AKT ACTIVITY
  申请人：Heerding Dirk A.

  公开号：US20100056523A1

  公开（公告）日：2010-03-04

  Invented are novel 1H-imidazo[4,5-c]pyridin-2-yl compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  发明了新型1H-咪唑[4,5-c]吡啶-2-基化合物，这些化合物用作蛋白激酶B活性的抑制剂，并用于癌症和关节炎的治疗。
• Inhibitors of Akt activity
  申请人：Heerding A. Dirk

  公开号：US20080076763A1

  公开（公告）日：2008-03-27

  Invented are novel 1H-imidazo[4,5-c]pyridin-2-yl compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  发明了新型的1H-咪唑[4,5-c]吡啶-2-基化合物，这些化合物被用作蛋白激酶B活性的抑制剂，用于治疗癌症和关节炎。