2-甲基-2-丙基[(2R)-1-氯-2-丁烷基]氨基甲酸酯 | 183990-21-8

• 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-甲基-2-丙基[(2R)-1-氯-2-丁烷基]氨基甲酸酯
• 英文名称: ((R)-1-Chloromethyl-propyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2R)-1-chlorobutan-2-yl]carbamate
• CAS: 183990-21-8
• 化学式: C₉H₁₈ClNO₂
• 分子量: 207.7
• InChiKey: LKFOEVDANKCHTI-SSDOTTSWSA-N

物化性质

• 沸点：
  276.3±23.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 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：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二氧化碳 、 2-甲基-2-丙基[(2R)-1-氯-2-丁烷基]氨基甲酸酯 在 正丁基锂 、 LiC₁₀H₇ 作用下， 生成 (3R)-3-(tert-butoxycarbonylamino)pentanoic acid
  参考文献：
  名称：

  EPC-Synthesis of functionalised amides via chiral β-nitrogenated organolithium compounds

  摘要：

  The deprotonation of chiral chloroamides or carbamates 1, 4, 7, 10, 13 and 16 with n-butyllithium followed by in situ lithiation with lithium naphthalenide, both at -78 degrees C in THF, leads to the formation of the corresponding chiral dianionic intermediates, which by reaction with different electrophiles [H2O, D2O, Me(2)S(2), (CH2)(5)CO, Bu(t)CHO, PhCHO, CO2, CO(OEt)(2), BrCH(2)CO(2)Et and DCC] at -78 to 20 degrees C affords, after hydrolysis with water, the expected enantiopure compounds. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00382-5
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 (R)-1-Chloromethyl-propylamine 在 sodium carbonate 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 2-甲基-2-丙基[(2R)-1-氯-2-丁烷基]氨基甲酸酯
  参考文献：
  名称：

  EPC-Synthesis of functionalised amides via chiral β-nitrogenated organolithium compounds

  摘要：

  The deprotonation of chiral chloroamides or carbamates 1, 4, 7, 10, 13 and 16 with n-butyllithium followed by in situ lithiation with lithium naphthalenide, both at -78 degrees C in THF, leads to the formation of the corresponding chiral dianionic intermediates, which by reaction with different electrophiles [H2O, D2O, Me(2)S(2), (CH2)(5)CO, Bu(t)CHO, PhCHO, CO2, CO(OEt)(2), BrCH(2)CO(2)Et and DCC] at -78 to 20 degrees C affords, after hydrolysis with water, the expected enantiopure compounds. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00382-5

文献信息

• SULFONAMIDES AS HIB PROTEASE INHIBITORS
  申请人：Moradei Oscar M.

  公开号：US20140018326A1

  公开（公告）日：2014-01-16

  Compounds of Formula I are disclosed: wherein L, A, R 1 , R 2 , R 3A , R 3B , R 4A , R 4B , R 5 , R 6 and R 7 are defined herein. The compounds encompassed by Formula I include compounds which are HIV protease inhibitors and other compounds which can be metabolized in vivo to HIV protease inhibitors. The compounds and their pharmaceutically acceptable salts are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  公开了化学式I的化合物：其中L、A、R1、R2、R3A、R3B、R4A、R4B、R5、R6和R7的定义如下。公式I所涵盖的化合物包括HIV蛋白酶抑制剂和其他可以在体内代谢成HIV蛋白酶抑制剂的化合物。这些化合物及其药学上可接受的盐对于预防或治疗HIV感染以及预防、治疗或延迟艾滋病的发作非常有用。这些化合物及其盐可以作为药物组成部分使用，可选地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• US9187415B2
  申请人：——

  公开号：US9187415B2

  公开（公告）日：2015-11-17
• EPC-Synthesis of functionalised amides via chiral β-nitrogenated organolithium compounds
  作者：Francisco Foubelo、Miguel Yus

  DOI：10.1016/0957-4166(96)00382-5

  日期：1996.10

  The deprotonation of chiral chloroamides or carbamates 1, 4, 7, 10, 13 and 16 with n-butyllithium followed by in situ lithiation with lithium naphthalenide, both at -78 degrees C in THF, leads to the formation of the corresponding chiral dianionic intermediates, which by reaction with different electrophiles [H2O, D2O, Me(2)S(2), (CH2)(5)CO, Bu(t)CHO, PhCHO, CO2, CO(OEt)(2), BrCH(2)CO(2)Et and DCC] at -78 to 20 degrees C affords, after hydrolysis with water, the expected enantiopure compounds. Copyright (C) 1996 Elsevier Science Ltd