3-甲基丁烷-2-磺酰氯 | 78429-87-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 中文名称: 3-甲基丁烷-2-磺酰氯
• 英文名称: 2-Methylbutan-3-sulfochlorid
• 英文别名: 3-methyl-2-butanesulfonyl chloride；3-Methylbutane-2-sulfonyl chloride
• CAS: 78429-87-5
• 化学式: C₅H₁₁ClO₂S
• mdl: MFCD16671792
• 分子量: 170.66
• InChiKey: VLNMHTQPLCZFKY-UHFFFAOYSA-N

物化性质

• 沸点：
  207.5±9.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-甲基丁烷-2-磺酰氯 在 ammonium hydroxide 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 22.0h， 生成 2-chloro-N-(1,2-dimethylpropylsulfonyl)-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide
  参考文献：
  名称：

  AGRICULTURAL CHEMICALS

  摘要：

  本发明涉及一种在农业领域作为除草剂使用的化合物。该发明还涉及包含上述化合物的组合物和使用该化合物的方法。

  公开号：

  US20160214945A1
• 作为产物：
  描述：

  2-甲基丁烷 以 四氯化碳 为溶剂， 以8%的产率得到2-Methylbutan-2-sulfochlorid
  参考文献：
  名称：

  Estel, D.; Mateew, K.; Pritzkow, W., Journal fur praktische Chemie (Leipzig 1954), 1981, vol. 323, # 2, p. 262 - 268

  摘要：

  DOI：

文献信息

• METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF
  申请人：Kuramoto Ayako

  公开号：US20120130089A1

  公开（公告）日：2012-05-24

  The present invention is directed to provide an efficient production method which is capable of not only obtaining a cyclic sulfonic acid ester (sultone) at low cost and in high yield, but also the sulfonic acid ester (sultone) stably even in a commercial scale. The present invention relates to a method for producing hydroxysultone comprising a first step where a diol having a specified structure and a thionyl halide are reacted to obtain a cyclic sulfite having a specified structure, and a second step where the cyclic sulfite is reacted with water or/and alcohol; a method for producing an unsaturated sultone having a specified structure comprising a third step where a hydroxylsultone having a specified structure is reacted with an acid halide or an acid anhydride to obtain an intermediate, subsequently the intermediate is treated with a base; as well as a cyclic sulfite having a specified structure.

  本发明旨在提供一种高效的生产方法，该方法不仅能够以低成本和高产率获得环状磺酸酯（磺酮），而且能够在商业规模下稳定地生产磺酸酯（磺酮）。本发明涉及一种生产羟基磺酮的方法，包括第一步，其中将具有特定结构的二元醇和硫酰卤反应，以获得具有特定结构的环状亚磺酸酯，以及第二步，其中将环状亚磺酸酯与水或/和醇反应；一种生产具有特定结构的不饱和磺酮的方法，包括第三步，其中将具有特定结构的羟基磺酮与酸卤或酸酐反应，以获得中间体，随后用碱处理中间体；以及具有特定结构的环状亚磺酸酯。
• CRYSTALLIZATION OF SMAC MIMIC USED AS IAP INHIBITOR AND PREPARATION METHOD THEREOF
  申请人：CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

  公开号：US20220177453A1

  公开（公告）日：2022-06-09

  Provided are a crystallization of an SMAC mimic used as an IAP inhibitor and a preparation method thereof; also comprised is the use of said crystallization in the preparation of a drug for treating cancer benefiting from cIAP1 inhibition. The compound of formula (I) has high crystallization stability and low hygroscopicity, and has advantages in terms of physical properties, safety, and metabolic stability, and has high drug value.

  提供了一种作为IAP抑制剂的SMAC模拟物的结晶体及其制备方法；还包括利用该结晶体在制备治疗受益于cIAP1抑制的癌症药物中的使用。公式（I）的化合物具有高结晶稳定性和低吸湿性，并具有物理性质、安全性和代谢稳定性方面的优点，具有高药物价值。
• 1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：EP2757102A1

  公开（公告）日：2014-07-23

  The present invention is directed to provide an efficient production method which is capable of not only obtaining a cyclic sulfonic acid ester (sultone) at low cost and in high yield, but also the sulfonic acid ester (sultone) stably even in a commercial scale. The present invention relates to a method for producing hydroxysultone comprising a first step where a diol having a specified structure and a thionyl halide are reacted to obtain a cyclic sulfite having a specified structure, and a second step where the cyclic sulfite is reacted with water or/and alcohol; a method for producing an unsaturated sultone having a specified structure comprising a third step where a hydroxylsultone having a specified structure is reacted with an acid halide or an acid anhydride to obtain an intermediate, subsequently the intermediate is treated with a base; as well as a cyclic sulfite having a specified structure.

  本发明旨在提供一种高效的生产方法，该方法不仅能够低成本、高产率地获得环状磺酸酯（磺内酯），而且即使在商业规模上也能稳定地获得磺酸酯（磺内酯）。本发明涉及一种生产羟基磺酸内酯的方法，包括第一步：具有特定结构的二元醇与亚 硫酰卤反应，得到具有特定结构的环状亚硫酸盐；第二步：环状亚硫酸盐与水或/和醇反应；一种生产具有特定结构的不饱和舒尔酮的方法，包括第三步：具有特定结构的羟基舒尔酮与酸卤化物或酸酐反应，得到中间体，然后用碱处理中间体；以及具有特定结构的环状亚硫酸盐。
• Aryl substituted pyrimidines for use in influenza virus infection
  申请人：Janssen Sciences Ireland UC

  公开号：US10611755B2

  公开（公告）日：2020-04-07

  The invention relates to compounds having the structure of formula (I) which can be used for the treatment of or against influenza infections.

  本发明涉及具有式（I）结构的化合物，可用于治疗或预防流感感染。
• Oligonucleotide analogues having modified intersubunit linkages and/or terminal groups
  申请人：Sarepta Therapeutics, Inc.

  公开号：US10760078B2

  公开（公告）日：2020-09-01

  Oligonucleotide analogues comprising modified intersubunit linkages and/or modified 3′ and/or 5′-end groups are provided. The disclosed compounds are useful for the treatment of diseases where inhibition of protein expression or correction of aberrant mRNA splice products produces beneficial therapeutic effects.

  提供了包含修饰的亚基间连接和/或修饰的 3′和/或 5′末端基团的寡核苷酸类似物。所公开的化合物可用于治疗抑制蛋白质表达或校正异常 mRNA 剪接产物产生有益治疗效果的疾病。