[3-(2-tert-butoxycarbonylamino-2-methylpropyl)phenyl]acetic acid | 865589-70-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [3-(2-tert-butoxycarbonylamino-2-methylpropyl)phenyl]acetic acid
• 英文别名: 2-[3-[2-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
• CAS: 865589-70-4
• 化学式: C₁₇H₂₅NO₄
• 分子量: 307.39
• InChiKey: SJIWCRHBFIYFHH-UHFFFAOYSA-N

物化性质

• 沸点：
  463.7±33.0 °C(Predicted)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [3-(2-tert-butoxycarbonylamino-2-methylpropyl)phenyl]acetic acid 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 19.5h， 生成 2-[3-(2-amino-2-methylpropyl)phenyl]-N-[(4'-hydroxybiphenyl-3-yl)methyl]acetamide
  参考文献：
  名称：

  Development of a Potential Manufacturing Route to PF-00610355: A Novel Inhaled β₂-Adrenoreceptor Agonist

  摘要：

  The development of a practical, scalable route to PF-00610355 (8) is described. In this convergent approach, amine 9 is coupled to protected bromohydrin 1 to give the doubly protected intermediate 26. TBS-Deprotection of 26 affords the benzyl protected penultimate intermediate 25 which is crystallized as the corresponding hemifumarate salt 25a. On the basis of solubility data, the final debenzylation was conducted in aqueous THF, and the API (8) is isolated from acetonitrile by an unusual distillative crystallization process. The development of an efficient process to prepare amine 9 is also described.

  DOI：

  10.1021/op2002408
• 作为产物：
  描述：

  ethyl [3-(2-tert-butoxycarbonylamino-2-methylpropyl)phenyl]acetate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 91.0h， 生成 [3-(2-tert-butoxycarbonylamino-2-methylpropyl)phenyl]acetic acid
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES
  [FR] PROCEDE POUR LA PREPARATION DE DERIVES DE SULFONAMIDE

  摘要：

  公开号：

  WO2007010356A3

文献信息

• [EN] FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR<br/>[FR] DERIVES DE FORMAMIDE UTILES COMME RECEPTEURS ADRENERGIQUES
  申请人：PFIZER LTD

  公开号：WO2005092840A1

  公开（公告）日：2005-10-06

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  该发明涉及公式（1）的化合物，以及用于制备、用于制备的中间体、含有和用途的过程。根据本发明的化合物在许多疾病、紊乱和情况中都有用，特别是在炎症、过敏和呼吸系统疾病、紊乱和情况中。
• Process for the Preparation of Sulfonamide Derivatives
  申请人：Gladwell Iain Robert

  公开号：US20080193988A1

  公开（公告）日：2008-08-14

  The invention relates to a process for the preparation of compounds of formula (I) wherein Q 1 is a group selected from formulae (II) & (III) and a group *-NR 6 -Q 2 -A or, if appropriate, their pharmaceutically acceptable salts and/or isomers, tautomers, solvates or isotopic variations thereof, as well as intermediates used in said process.

  本发明涉及一种制备式（I）化合物的过程，其中Q1是从式（II）和（III）中选择的基团以及基团*-NR6-Q2-A，或者在适当的情况下，它们的药学上可接受的盐和/或异构体、互变异构体、溶剂化物或同位素变体，以及用于该过程的中间体。
• Formamide Derivatives For The Treatment of Diseases
  申请人：Brown Alan Daniel

  公开号：US20080207689A1

  公开（公告）日：2008-08-28

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及式(1)化合物以及制备该化合物的中间体、含有该化合物的组合物的制备方法和用途。根据本发明的化合物在许多疾病、紊乱和状况中具有有用性，特别是在炎症、过敏和呼吸系统疾病、紊乱和状况方面。
• Formamide derivatives for the treatment of diseases
  申请人：Brown Daniel Alan

  公开号：US20050215590A1

  公开（公告）日：2005-09-29

  The invention relates to compounds of formula (1) and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such derivatives. The compounds according to the present invention are useful in numerous diseases, disorders and conditions, in particular inflammatory, allergic and respiratory diseases, disorders and conditions.

  本发明涉及式（1）化合物 以及此类衍生物的制备过程、制备过程中使用的中间体、含有此类衍生物的组合物及其用途。根据本发明的化合物可用于多种疾病、失调和病症，特别是炎症性、过敏性和呼吸道疾病、失调和病症。
• FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR
  申请人：Pfizer Limited

  公开号：EP1730103B1

  公开（公告）日：2010-05-26