(R)-methyl 2-((tert-butoxycarbonyl)amino)-3-((R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)propanoate | 1418736-07-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (R)-methyl 2-((tert-butoxycarbonyl)amino)-3-((R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)propanoate
• 英文别名: methyl (2S)-3-[(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 1418736-07-8
• 化学式: C₃₆H₆₁NO₅
• 分子量: 587.884
• InChiKey: BGUFICWZXJODSL-IYEGNNOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  42
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl trifluoromethanesulfonate 在 2-双环己基膦-2',6'-二甲氧基联苯 、 tris-(dibenzylideneacetone)dipalladium(0) 、 N-碘代丁二酰亚胺 、 四(三苯基膦)钯 、 lithium chloride 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 14.0h， 生成 (R)-methyl 2-((tert-butoxycarbonyl)amino)-3-((R)-2,8-dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl)propanoate
  参考文献：
  名称：

  Facile conversion of chromane-6-triflate to chromane-6-alanines under palladium conditions

  摘要：

  Conversion of chromane-6-triflate 5 to chromane-6-dehydroalanine 9 or 10 via its Bpin-derivative 6 followed by Suzuki coupling with protected dehydroalanine bromides 7 or 8 were reported (86%). Alternatively, a palladium-catalyzed stannation of 5 with Bu6Sn2 afforded the tributyltin derivative 11, and iodination (12) followed by coupling with 13 gave chromane-6-alanine 15 (75%). Either approach constitutes a conversion from chromane-6-triflate to the corresponding protected chromane-6-alanine or its dehydro analog. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.115

文献信息

• Facile conversion of chromane-6-triflate to chromane-6-alanines under palladium conditions
  作者：Daniel K. Miller

  DOI：10.1016/j.tetlet.2012.11.115

  日期：2013.2

  Conversion of chromane-6-triflate 5 to chromane-6-dehydroalanine 9 or 10 via its Bpin-derivative 6 followed by Suzuki coupling with protected dehydroalanine bromides 7 or 8 were reported (86%). Alternatively, a palladium-catalyzed stannation of 5 with Bu6Sn2 afforded the tributyltin derivative 11, and iodination (12) followed by coupling with 13 gave chromane-6-alanine 15 (75%). Either approach constitutes a conversion from chromane-6-triflate to the corresponding protected chromane-6-alanine or its dehydro analog. (C) 2012 Elsevier Ltd. All rights reserved.