1-methyl-3-hydroxypropylmethyl-t-BOC-amide | 916660-89-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-methyl-3-hydroxypropylmethyl-t-BOC-amide
• 英文别名: (3-hydroxy-1-methyl-propyl)-methyl-carbamic acid tert-butyl ester；tert-butyl N-(4-hydroxybutan-2-yl)-N-methylcarbamate
• CAS: 916660-89-4
• 化学式: C₁₀H₂₁NO₃
• 分子量: 203.282
• InChiKey: UMAHPDSVCBMQFC-UHFFFAOYSA-N

物化性质

• 沸点：
  283.1±19.0 °C(Predicted)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-hydroxypropylmethyl-t-BOC-amide 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以37%的产率得到1-methyl-3-bromopropylmethyl-t-BOC-amide
  参考文献：
  名称：

  Luminogenic and fluorogenic compounds and methods to detect molecules or conditions

  摘要：

  公开号：

  EP2277872B1
• 作为产物：
  描述：

  3-甲基氨基-1-丁醇 、 二碳酸二叔丁酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到1-methyl-3-hydroxypropylmethyl-t-BOC-amide
  参考文献：
  名称：

  PIPERIDINE DERIVATIVES

  摘要：

  本发明涉及式I的化合物，其中R1、R2和Ar定义如本文中所述，或涉及一种药物可接受的酸性加成盐，或涉及其相应的对映体和/或光学异构体。这些化合物及其药物组合物可用于治疗神经和神经精神障碍。

  公开号：

  US20100197715A1

文献信息

• PIPERIDINE DERIVATIVES
  申请人：Kolczewski Sabine

  公开号：US20100197715A1

  公开（公告）日：2010-08-05

  The present invention relates to a compound of formula I wherein R 1 , R 2 , and Ar are as defined herein or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer thereof. These compounds and their pharmaceutical compositions are useful in the treatment of neurological and neuropsychiatric disorders.

  本发明涉及式I的化合物，其中R1、R2和Ar定义如本文中所述，或涉及一种药物可接受的酸性加成盐，或涉及其相应的对映体和/或光学异构体。这些化合物及其药物组合物可用于治疗神经和神经精神障碍。
• Hydroxybenzoate salts of metanicotine compounds
  申请人：Munoz A. Julio

  公开号：US20060122237A1

  公开（公告）日：2006-06-08

  Patients susceptible to or suffering from conditions and disorders, such as central nervous system disorders, are treated by administering to a patient in need thereof compositions that are hydroxybenzoate salts of E-metanicotine-type compounds. The formation of hydroxybenzoate salts of the E-metanicotine compounds is also useful in purifying the E-metanicotine compounds, as the hydroxybenzoate salts tend to crystallize out, leaving impurities such as Z-metanicotine compounds, and compounds where the double bond has migrated, in solution. If desired, the hydroxybenzoate salts can be converted to either the free base (the E-metanicotine) or to another pharmaceutically acceptable salt form.

  易感或患有中枢神经系统疾病等状况的患者，通过向需要治疗的患者施用氢氧基苯酸盐型的E-甲基烟碱类化合物来进行治疗。形成E-甲基烟碱化合物的氢氧基苯酸盐也可用于纯化E-甲基烟碱化合物，因为氢氧基苯酸盐倾向于结晶出来，留下杂质，如Z-甲基烟碱化合物和双键迁移的化合物在溶液中。如果需要，氢氧基苯酸盐可以转化为自由基（E-甲基烟碱）或其他药学上可接受的盐形式。
• Pharmaceutical compositions and methods for use
  申请人：——

  公开号：US20030087915A1

  公开（公告）日：2003-05-08

  Pharmaceutical compositions incorporate aryl substituted olefinic amine compounds. Representative compounds are (2S)-(4E)-N-methyl-5-[3-(5-isopropoxy-1-oxopyridin)yl)]-4-penten-2-amine, (4E)-N-methyl-5-(3-(1-oxopyridin)yl)4-penten-2-amine, (4E)-N-methyl-5-(3-(5-((carboxymethyl)oxy)pyridin)yl)-4-penten-2-amine and (4E)-N-methyl-5-(3-(1-oxopyridin)yl)-4-penten-2-amine.

  药物组合物包含芳基取代烯丙胺化合物。代表性化合物为(2S)-(4E)-N-甲基-5-[3-(5-异丙氧基-1-氧代吡啶)基]-4-戊烯-2-胺，(4E)-N-甲基-5-(3-(1-氧代吡啶)基)4-戊烯-2-胺，(4E)-N-甲基-5-(3-(5-((羧甲基)氧基)吡啶)基)-4-戊烯-2-胺和(4E)-N-甲基-5-(3-(1-氧代吡啶)基)-4-戊烯-2-胺。
• HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS
  申请人：Dull Gary Maurice

  公开号：US20080249142A1

  公开（公告）日：2008-10-09

  Patients susceptible to or suffering from conditions and disorders, such as central nervous system disorders, are treated by administering to a patient in need thereof compositions that are hydroxybenzoate salts of E-metanicotine-type compounds. The formation of hydroxybenzoate salts of the E-metanicotine compounds is also useful in purifying the E-metanicotine compounds, as the hydroxybenzoate salts tend to crystallize out, leaving impurities such as Z-metanicotine compounds, and compounds where the double bond has migrated, in solution. If desired, the hydroxybenzoate salts can be converted to either the free base (the E-metanicotine compound) or to another pharmaceutically acceptable salt form.

  易感受或患有中枢神经系统疾病等疾病和疾病的患者，通过给需要治疗的患者施用羟基苯甲酸盐型E-甲烟碱类化合物的组合物来治疗。形成羟基苯甲酸盐的E-甲烟碱化合物也有助于纯化E-甲烟碱化合物，因为羟基苯甲酸盐倾向于结晶出来，留下杂质，例如Z-甲烟碱化合物和双键迁移的化合物在溶液中。如有需要，羟基苯甲酸盐可转化为自由碱（E-甲烟碱化合物）或另一种药学上可接受的盐形式。
• Hydroxybenzoate Salts Of Metanicotine Compounds
  申请人：Munoz Julio A.

  公开号：US20090062321A1

  公开（公告）日：2009-03-05

  Patients susceptible to or suffering from conditions and disorders, such as central nervous system disorders, are treated by administering to a patient in need thereof compositions that are hydroxybenzoate salts of E-metanicotine-type compounds. The formation of hydroxybenzoate salts of the E-metanicotine compounds is also useful in purifying the E-metanicotine compounds, as the hydroxybenzoate salts tend to crystallize out, leaving impurities such as Z-metanicotine compounds, and compounds where the double bond has migrated, in solution. If desired, the hydroxybenzoate salts can be converted to either the free base (the E-metanicotine) or to another pharmaceutically acceptable salt form.

  对于易感受或患有中枢神经系统疾病等疾病和疾病的患者，可以通过向需要治疗的患者施用羟基苯甲酸酯盐的E-甲烟碱型化合物来进行治疗。羟基苯甲酸酯盐的形成对于纯化E-甲烟碱化合物也是有用的，因为羟基苯甲酸酯盐往往会结晶出来，留下杂质，例如Z-甲烟碱化合物和双键迁移的化合物。如果需要，羟基苯甲酸酯盐可以转化为自由碱基（E-甲烟碱）或其他药学上可接受的盐形式。