2-异丙氧基乙酸叔丁酯 | 1089707-47-0

• 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
• 中文名称: 2-异丙氧基乙酸叔丁酯
• 英文名称: tert-butyl 2-isopropoxyacetate
• 英文别名: tert-butyl 2-propan-2-yloxyacetate
• CAS: 1089707-47-0
• 化学式: C₉H₁₈O₃
• 分子量: 174.24
• InChiKey: MGXNOCHYLUSSED-UHFFFAOYSA-N

物化性质

• 沸点：
  212.7±13.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-异丙氧基乙酸叔丁酯 在 4-二甲氨基吡啶 、 lithium hydroxide monohydrate 、 双氧水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 、 氯仿 、 水 、 乙腈 为溶剂， 生成 tert-butyl (3S)-3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-3-propan-2-yloxypropanoate
  参考文献：
  名称：

  TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF

  摘要：

  由式[I]表示的化合物： 或其药学上可接受的盐，其中每个符号如描述中所定义。

  公开号：

  US20160137639A1
• 作为产物：
  描述：

  溴乙酸叔丁酯 、 异丙醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-异丙氧基乙酸叔丁酯
  参考文献：
  名称：

  TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF

  摘要：

  由式[I]表示的化合物： 或其药学上可接受的盐，其中每个符号如描述中所定义。

  公开号：

  US20160137639A1

文献信息

• PHOTORESIST COMPOSITION
  申请人：Robinson Alex

  公开号：US20120251953A1

  公开（公告）日：2012-10-04

  Certain methanofullerene derivatives are described, having side chains with acid-labile protecting groups. The methanofullerene derivatives may find application as photoresist materials, and particularly as positive-tone photoresists.

  描述了某些具有酸敏保护基的甲烷富勒烯衍生物。这些甲烷富勒烯衍生物可能被用作光刻胶材料，特别是作为正相光刻胶。
• [EN] PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS<br/>[FR] PROCEDE DE PRODUCTION D'ACIDES 3-(4-HYDROXYPHENYL)PROPIONIQUES OPTIQUEMENT ACTIFS
  申请人：TAKASAGO PERFUMERY CO LTD

  公开号：WO2005051882A1

  公开（公告）日：2005-06-09

  The present invention relates to a process for producing an optically active 3-(4-hydroxyphenyl)propionic acid useful as intermediates for medicines, through short steps in good yield and with high optical purity. More specifically, the present invention relates to a process for producing an optically active 3-(4-hydroxyphenyl)propionic acid of the formula (6): wherein R2 is an alkyl group; R5 to R8 are each independently a hydrogen atom or a substituent; and the symbol * is an chiral carbon atom, or a salt thereof, which comprises reacting a benzaldehyde of the formula (1): wherein R1 is a protective group; and R5 to R8 are each the same as defined above, with a glycolic acid derivative of the formula (2): wherein R3 is a hydrocarbon group; and R2 is the same as defined above, hydrolyzing the resulting product to give a cinnamic acid of the formula (4): wherein R1, R2 and R5 to R8 are each the same as defined above, or a salt thereof, and subjecting the resulting cinnamic acid (4) or a salt thereof to asymmetric hydrogenation to give an optically active phenylpropionic acid of the formula (5): wherein all the symbols are each the same as defined above, or a salt thereof, followed by deprotection.

  本发明涉及一种生产光学活性3-(4-羟基苯基)丙酸的工艺，作为药物中间体，通过简短的步骤、高产率和高光学纯度。更具体地，本发明涉及一种生产光学活性3-(4-羟基苯基)丙酸的工艺，其化学结构如下（6）：其中R2是烷基；R5至R8分别独立地是氢原子或取代基；符号*是一个手性碳原子，或其盐，包括将化学结构如下（1）的苯甲醛：其中R1是保护基；R5至R8分别与上述定义相同，与化学结构如下（2）的甘醇酸衍生物反应：其中R3是烃基；R2与上述定义相同，水解得到肉桂酸的产物：其中R1、R2和R5至R8分别与上述定义相同，或其盐，并将得到的肉桂酸（4）或其盐进行不对称氢化反应，得到光学活性苯丙酸的产物：其中所有符号均与上述定义相同，或其盐，随后进行去保护处理。
• Triazole derivatives useful as Axl inhibitors
  申请人：Singh Rajinder

  公开号：US20070213375A1

  公开（公告）日：2007-09-13

  Triazole derivatives and pharmaceutical compositions containing the derivatives are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the derivatives in treating diseases or conditions associated with Axl catalytic activity are also disclosed.

  本发明揭示了三唑衍生物及含有该衍生物的制药组合物，其在抑制受体蛋白酪氨酸激酶Axl的活性方面具有有用性。本发明还揭示了使用该衍生物治疗与Axl催化活性相关的疾病或病况的方法。
• Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use
  申请人：Zhong Wenge

  公开号：US20090036478A1

  公开（公告）日：2009-02-05

  The present invention comprises a new class of compounds useful for the modulation of Beta-secretase enzyme activity and for the treatment of Beta-secretase mediated diseases, including Alzheimer's disease (AD) and related conditions. In one embodiment, the compounds have a general Formula I wherein R 1a , R 1b , R 1c , B, W, R 3 , R 4 and R 5 are defined herein. In another embodiment, the invention provides compounds of general Formula II wherein A 1 , A 2 , A 3 , A 4 , R 1a , R 1b , R 1c , R 2 , R 4 , R 5 , W, X and Z are defined herein. The invention also includes use of these compounds in pharmaceutical compositions for treatment, prophylactic or therapeutic, of disorders and conditions related to the activity of beta-secretase protein. Such disorders include, for example, Alzheimer's Disease (AD), cognitive deficits and impairment, schizophrenia and other similar central nervous system conditions. The invention also comprises further embodiments of Formula II, intermediates and processes useful for the preparation of compounds of Formulas I and II.

  本发明涉及一类新化合物，适用于调节Beta-分泌酶酶活性和治疗Beta-分泌酶介导的疾病，包括阿尔茨海默病（AD）和相关疾病。在一种实施例中，该化合物具有一般的I式，其中R1a、R1b、R1c、B、W、R3、R4和R5在此定义。在另一种实施例中，本发明提供了一般式II的化合物，其中A1、A2、A3、A4、R1a、R1b、R1c、R2、R4、R5、W、X和Z在此定义。本发明还包括这些化合物在制药组合物中的使用，用于治疗与Beta-分泌酶蛋白活性相关的疾病和症状。这些疾病包括阿尔茨海默病（AD）、认知缺陷和损伤、精神分裂症和其他类似的中枢神经系统疾病。本发明还包括进一步的II式实施例、中间体和制备I式和II式化合物的有用工艺。
• Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids
  申请人：Yokozawa Tohru

  公开号：US20070142472A1

  公开（公告）日：2007-06-21

  The present invention relates to a process for producing an optically active 3-(4-hydroxyphenyl)propionic acid useful as intermediates for medicines, through short steps in good yield and with high optical purity. More specifically, the present invention relates to a process for producing an optically active 3-(4-hydroxyphenyl)propionic acid of the formula (6): wherein R 2 is an alkyl group; R 5 to R 8 are each independently a hydrogen atom or a substituent; and the symbol * is an chiral carbon atom, or a salt thereof, which comprises reacting a benzaldehyde of the formula (1): wherein R 1 is a protective group; and R 5 to R 8 are each the same as defined above, with a glycolic acid derivative of the formula (2): wherein R 3 is a hydrocarbon group; and R 2 is the same as defined above, hydrolyzing the resulting product to give a cinnamic acid of the formula (4): wherein R 1 , R 2 and R 5 to R 8 are each the same as defined above, or a salt thereof, and subjecting the resulting cinnamic acid (4) or a salt thereof to asymmetric hydrogenation to give an optically active phenylpropionic acid of the formula (5): wherein all the symbols are each the same as defined above, or a salt thereof, followed by deprotection.

  本发明涉及一种生产光学活性的3-(4-羟基苯基)丙酸的方法，该方法通过短步骤以良好产率和高光学纯度的方式，作为药物中间体。更具体地说，本发明涉及一种生产式(6)的光学活性3-(4-羟基苯基)丙酸的方法：其中R2是烷基；R5到R8分别独立地是氢原子或取代基；符号*是手性碳原子，或其盐，包括用式(1)的苯甲醛反应：其中R1是保护基；R5到R8分别与上述定义相同，与式(2)的乙二醇酸衍生物反应：其中R3是碳氢基团；R2与上述定义相同，水解所得产物得到式(4)的肉桂酸：其中R1、R2和R5到R8分别与上述定义相同，或其盐，并将所得的肉桂酸(4)或其盐经过不对称氢化作用得到式(5)的光学活性苯丙酸：其中所有符号均与上述定义相同，或其盐，然后去保护基。