2-methylpentan-5-sulfochlorid | 60154-83-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 英文名称: 2-methylpentan-5-sulfochlorid
• 英文别名: 4-methyl-pentane-1-sulfonyl chloride；4-Methyl-pentan-1-sulfonylchlorid；isohexyl sulfonyl chloride；isohexylsulfonyl chloride；4-Methylpentansulfonylchlorid；4-Methylpentane-1-sulfonyl chloride
• CAS: 60154-83-8
• 化学式: C₆H₁₃ClO₂S
• mdl: MFCD19200142
• 分子量: 184.687
• InChiKey: RSKNWLPGAZIHTP-UHFFFAOYSA-N

物化性质

• 沸点：
  84 °C(Press: 2.5 Torr)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  4
• 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：

  2-methylpentan-5-sulfochlorid 、 苯胺 在 三乙胺 作用下， 以 乙醚 为溶剂， 生成 4-Methylpentan-1-sulfanilid
  参考文献：
  名称：

  Organic sulfur mechanisms. 18. The sulfo-Cope rearrangement and other thermal reactions of unsaturated sulfonyl species

  摘要：

  DOI：

  10.1021/ja00427a043
• 作为产物：
  描述：

  Thioessigsaeure-S-(4-methyl-pentylester) 在 水 、 氯 作用下， 生成 2-methylpentan-5-sulfochlorid
  参考文献：
  名称：

  Notes - Synthesis from Thiolacetates. I. Synthesis of Alkanesulfonyl Chlorides

  摘要：

  DOI：

  10.1021/jo01359a603

文献信息

• ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME
  申请人：Watanabe Masahito

  公开号：US20100261924A1

  公开（公告）日：2010-10-14

  The present invention provides an organic metal compound, a ligand, an asymmetric catalyst, and a process for preparing optically-active alcohols using the asymmetric catalyst. The organic metal compound of the present invention is expressed by the following general formula (1): wherein in general formula (1), R 1 and R 2 are a mutually identical or mutually different, unsubstituted or substituted alkyl group, aryl group, cycloalkyl group, or R 1 and R 2 are bound to form an alicyclic ring, R 3 is a hydrogen atom or an alkyl group, R 4 is a branched alkyl group or an alkyl group that does or does not form a ring by itself, or an unsubstituted or substituted aryl group, or an unsubstituted or substituted heterocyclic group, Ar is an unsubstituted or substituted cyclopentadienyl group that is bound to M via a π bond, or an unsubstituted or substituted benzene, X is a hydride group or an anionic group, M is ruthenium, rhodium or iridium, L is a solvent molecule or a water molecule, l is 1 or 2, m is an integer from 0 to 2, n is 0 or 1, and when n is 0, X does not exist, and * represents asymmetric carbon, wherein R 4 is not a camphor group, a camphor derivative group, an isopropyl group or a phenyl group whenever R 1 and R 2 are both a phenyl group.

  本发明提供一种有机金属化合物、配体、不对称催化剂以及利用该不对称催化剂制备光学活性醇的方法。本发明的有机金属化合物由以下通用式（1）表示： 在通用式（1）中，R1和R2是相互相同或相互不同的未取代或取代的烷基基团、芳基团、环烷基团，或R1和R2结合形成脂环，R3是氢原子或烷基基团，R4是支链烷基基团或自身形成环或不形成环的烷基基团，或未取代或取代的芳基团，或未取代或取代的杂环基团，Ar是通过π键与M结合的未取代或取代的环戊二烯基团，或未取代或取代的苯，X是氢化物基团或阴离子基团，M是钌、铑或铱，L是溶剂分子或水分子，l为1或2，m为0到2的整数，n为0或1，当n为0时，X不存在，*代表不对称碳，其中当R1和R2均为苯基团时，R4不是藿香基团、藿香衍生基团、异丙基团或苯基团。
• 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。
• ISOTHIAZOLIDINE 1,1-DIOXIDE AND TETRAHYDRO-2H-1,2-THIAZINE 1,1-DIOXIDE DERIVATIVES AS P2X7 MODULATORS
  申请人：Walter Daryl Simon

  公开号：US20100292224A1

  公开（公告）日：2010-11-18

  The present invention provides a compound of formula (1) or a pharmaceutically acceptable salt thereof: wherein R 1 represents optionally substituted C 1-4 alkyl; X represents —(CR 10 R 11 ) n — in which n represents 1 or 2; R 2 , R 3 and R 4 independently represent H, F or Me; and R 5 ; R 6 ; R 7 ; R 8 and R 9 independently represent hydrogen, halogen, or cyano; or optionally substituted C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl or C 3-6 cycloalkyl, such that at least one of R 5 and R 9 represents a group other than hydrogen. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prevention of inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis or osteoarthritis.

  本发明提供了式（1）的化合物或其药学上可接受的盐：其中R1代表可选取代的C1-4烷基; X代表—（CR10R11）n—，其中n代表1或2; R2，R3和R4独立地代表H，F或Me; R5，R6，R7，R8和R9独立地代表氢，卤素或氰基; 或可选取代的C1-6烷基，C2-6烯基，C2-6炔基或C3-6环烷基，使得R5和R9中至少有一个代表除氢以外的基团。这些化合物或盐被认为可以调节P2X7受体功能，并能够拮抗ATP在P2X7受体上的作用。本发明还提供了在治疗或预防炎症性疼痛、神经病理性疼痛、内脏疼痛、类风湿性关节炎或骨关节炎中使用该化合物或盐的方法。
• PROCESS FOR PRODUCING ACID ANHYDRIDE
  申请人：Tokuyama Corporation

  公开号：EP1413572A1

  公开（公告）日：2004-04-28

  According to the present invention there is provided a process for producing an acid anhydride by reacting a carboxylic acid, preferably a carboxylic acid having a polymerizable group, with a sulfonyl halide compound in the presence of a tertiary amine or in the presence of a tertiary amine and an inorganic base, wherein the tertiary amine or the tertiary amine and the inorganic base are used in an amount of 0.9 to 1.2 equivalents relative to the acid generated from the sulfonyl halide compound.

  根据本发明，提供了一种生产酸酐的工艺，其方法是在叔胺存在下或在叔胺和无机碱存在下，使羧酸（最好是具有可聚合基团的羧酸）与磺酰卤化合物反应，其中叔胺或叔胺和无机碱的用量相对于磺酰卤化合物生成的酸为 0.9 至 1.2 个当量。
• Asymmetric catalyst and process for preparing optically active alcohols using the same
  申请人：Kanto Kagaku Kabushiki Kaisha

  公开号：EP2239057A1

  公开（公告）日：2010-10-13

  The present invention provides an organic metal compound, a ligand, an asymmetric catalyst, and a process for preparing optically-active alcohols using the asymmetric catalyst. The organic metal compound of the present invention is expressed by the following general formula (1): wherein in general formula (1), R1 and R2 are a mutually identical or mutually different, unsubstituted or substituted alkyl group, aryl group, cycloalkyl group, or R1 and R2 are bound to form an alicyclic ring, R3 is a hydrogen atom or an alkyl group, R4 is a branched alkyl group or an alkyl group that does or does not form a ring by itself, or an unsubstituted or substituted aryl group, or an unsubstituted or substituted heterocyclic group, Ar is an unsubstituted or substituted cyclopentadienyl group that is bound to M via a π bond, or an unsubstituted or substituted benzene, X is a hydride group or an anionic group, M is ruthenium, rhodium or iridium, L is a solvent molecule or a water molecule, 1 is 1 or 2, m is an integer from 0 to 2, n is 0 or 1, and when n is 0, X does not exist, and * represents asymmetric carbon, wherein R4 is not a camphor group, a camphor derivative group, an isopropyl group or a phenyl group whenever R1 and R2 are both a phenyl group.

  本发明提供了一种有机金属化合物、一种配体、一种不对称催化剂以及一种使用该不对称催化剂制备光学活性醇的工艺。本发明的有机金属化合物由以下通式（1）表示： 其中通式（1）中，R1 和 R2 是相互相同或相互不同的未取代或取代的烷基、芳基、环烷基，或 R1 和 R2 结合形成脂环，R3 是氢原子或烷基，R4 是支链烷基或本身形成或不形成环的烷基，或未取代或取代的芳基，或未取代或取代的杂环基、Ar 是通过 π 键与 M 结合的未取代或取代的环戊二烯基，或未取代或取代的苯， X 是氢化物基团或阴离子基团，M 是钌、铑或铱，L 是溶剂分子或水分子、1 是 1 或 2，m 是 0 至 2 的整数，n 是 0 或 1，当 n 为 0 时，X 不存在，* 代表不对称碳，其中当 R1 和 R2 都是苯基时，R4 不是樟脑基团、樟脑衍生物基团、异丙基团或苯基。