(R)-2-methylpentyl methanesulfonate | 863782-74-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (R)-2-methylpentyl methanesulfonate
• 英文别名: (R)-methanesulfonic acid 2-methyl-pentyl ester；[(2R)-2-methylpentyl] methanesulfonate
• CAS: 863782-74-5
• 化学式: C₇H₁₆O₃S
• 分子量: 180.268
• InChiKey: VTXURCMDIHDVMM-SSDOTTSWSA-N

物化性质

• 沸点：
  270.6±9.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-2-methylpentyl methanesulfonate 在 potassium tert-butylate 、 四丁基溴化铵 、 sodium bromide 作用下， 以 水 为溶剂， 生成 异己烯
  参考文献：
  名称：

  Chemical Development of an α2δ Ligand, (3S,5R)-3-(Aminomethyl)-5-methyloctanoic Acid

  摘要：

  Three synthetic approaches, suitable for the large scale manufacture of the alpha 2 delta-ligand, (3S,5R)-3-(aminomethyl)-5-methyloctanoic acid 3, have been evaluated. The selected seven step manufacturing process has then been optimized and used to deliver over 20 kg of API; salient features of the synthesis include the use of 4,4,4-trimethoxybutyronitrile as an efficient four carbon amino acid equivalent. Highly selective kinetic resolution of the C3 stereocente was accomplished via diastereoselective hydrolysis of a cyanoester intermediate using Amano Lipase PS-SD. Extensive process optimisation of the route starting from (R)-2-methylpentanol, led to significant improvements through telescoping, with less than 62 kg of solvent being needed to produce 1 kg of API.

  DOI：

  10.1021/op2001832
• 作为产物：
  描述：

  2-甲基-1-戊醇 在 Amano lipase PS-C₁ 、 三乙胺 作用下， 以 二氯甲烷 、 甲基叔丁基醚 为溶剂， 反应 19.0h， 生成 (R)-2-methylpentyl methanesulfonate
  参考文献：
  名称：

  Chemical Development of an α2δ Ligand, (3S,5R)-3-(Aminomethyl)-5-methyloctanoic Acid

  摘要：

  Three synthetic approaches, suitable for the large scale manufacture of the alpha 2 delta-ligand, (3S,5R)-3-(aminomethyl)-5-methyloctanoic acid 3, have been evaluated. The selected seven step manufacturing process has then been optimized and used to deliver over 20 kg of API; salient features of the synthesis include the use of 4,4,4-trimethoxybutyronitrile as an efficient four carbon amino acid equivalent. Highly selective kinetic resolution of the C3 stereocente was accomplished via diastereoselective hydrolysis of a cyanoester intermediate using Amano Lipase PS-SD. Extensive process optimisation of the route starting from (R)-2-methylpentanol, led to significant improvements through telescoping, with less than 62 kg of solvent being needed to produce 1 kg of API.

  DOI：

  10.1021/op2001832

文献信息

• ESTROGEN RECEPTOR MODULATORS AND USES THEREOF
  申请人：Smith Nicholas D.

  公开号：US20130231333A1

  公开（公告）日：2013-09-05

  Described herein are compounds that are estrogen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well methods of using such estrogen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon estrogen receptors.

  本文描述了一些雌激素受体调节剂化合物。还描述了包括所述化合物的制药组合物和药物，以及使用这些雌激素受体调节剂，单独或与其他化合物结合，治疗与雌激素受体介导或依赖的疾病或症状的方法。
• PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN
  申请人：Conway Brian G

  公开号：US20090247743A1

  公开（公告）日：2009-10-01

  Disclosed are materials and methods for preparing optically active β-amino acids of Formula 1, which bind to the alpha-2-delta (α2δ) subunit of a calcium channel.

  本发明涉及制备配方1的光学活性β-氨基酸的材料和方法，该配方1结合到钙通道的α2δ亚单位。
• Preparation of gamma-amino acids having affinity for the alpha-2-delta protein
  申请人：Evans Claire Margaret

  公开号：US20070141684A1

  公开（公告）日：2007-06-21

  Disclosed are materials and methods for preparing optically active γ-amino acids of Formula 1, which bind to the alpha-2-delta (α2δ) subunit of a calcium channel.

  本发明公开了一种制备光学活性γ-氨基酸的材料和方法，其化合物符合公式1，可以与钙通道的α2δ亚单位结合。
• Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein
  申请人：Evans Margaret Claire

  公开号：US20090299093A1

  公开（公告）日：2009-12-03

  Disclosed are materials and methods for preparing optically active γ-amino acids of Formula 1, which bind to the alpha-2-delta (α2δ) subunit of a calcium channel.

  本发明涉及一种制备结合到钙通道的α2δ亚基的光学活性γ-氨基酸的材料和方法，其化学式为1。
• INDANE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF
  申请人：Govek Steven P.

  公开号：US20130137746A1

  公开（公告）日：2013-05-30

  Described herein are compounds that are estrogen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such estrogen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon estrogen receptors.

  本文描述了一些雌激素受体调节剂化合物。还描述了包括本文所述化合物的药物组合物和药物，以及使用这种雌激素受体调节剂的方法，单独或与其他化合物联合治疗介导或依赖于雌激素受体的疾病或病症。