ethyl α-(ethylthio)-isobutyrate | 33441-51-9

• 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
• 英文名称: ethyl α-(ethylthio)-isobutyrate
• 英文别名: β-Ethyl-thioisobuttersaeureethylester；2-ethylsulfanyl-2-methyl-propionic acid ethyl ester；2-Ethylthio-2-methyl-propionic acid ethyl ester；ethyl 2-ethylsulfanyl-2-methylpropanoate
• CAS: 33441-51-9
• 化学式: C₈H₁₆O₂S
• 分子量: 176.28
• InChiKey: NOVKKHDEBWRCCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴-2-甲基丙酸乙酯 在 氢氧化钾 、 乙硫醇 作用下， 以117%的产率得到ethyl α-(ethylthio)-isobutyrate
  参考文献：
  名称：

  THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS

  摘要：

  本发明涉及硫酯化合物以及将这些新化学实体作为风味和香料化学品的添加和使用。

  公开号：

  US20090232747A1

文献信息

• Compounds which Modulate the CB2 Receptor
  申请人：Berry Angela

  公开号：US20080081822A1

  公开（公告）日：2008-04-03

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式（I）的化合物已被披露。根据本发明的化合物与CB2受体结合，并且是CB2受体的激动剂、拮抗剂或反向激动剂，可用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。
• Thioester compounds and their use in fragrance or flavor applications
  申请人：International Flavors & Fragrances Inc.

  公开号：US07615661B2

  公开（公告）日：2009-11-10

  The present invention relates to thioester compounds and the incorporation and use of the new chemical entities as flavor and fragrance chemicals.

  本发明涉及硫代酯化合物及其作为风味和香料化学品的新化学实体的合并和使用。
• Compounds Which Modulate The CB2 Receptor
  申请人：BERRY Angela

  公开号：US20110130431A1

  公开（公告）日：2011-06-02

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式(I)的化合物已被披露。根据本发明，这些化合物能够与CB2受体结合并作为激动剂、拮抗剂或反向激动剂，对治疗炎症具有用处。其中那些作为激动剂的化合物还可用于治疗疼痛。
• COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2074084B1

  公开（公告）日：2013-08-28
• VARIANT SCORPION PRIMERS FOR NUCLEIC ACID AMPLIFICATION AND DETECTION
  申请人：Lee Ming-Chou

  公开号：US20090197254A1

  公开（公告）日：2009-08-06

  Disclosed herein are methods of detecting target nucleic acids. In particular, methods for avoiding loss of the fluorescent label form an amplicon that is generated using a Scorpion primer and a polymerase with 5′ exonuclease activity. The methods use a Scorpion primer which comprises a fluorophore, a quencher, and in 5′ to 3′ order, a probe region, a linker region and a primer region, wherein the quencher is located at or near the 5′ end, and, wherein the primer is complementary to the target nucleic acid and the probe region hybridizes to a complementary sequence in an extension product of the primer. The methods provide for detection of target nucleic acids in simplex or multiplex formats.