(S)-2-methyl-pentanoyl chloride | 25548-83-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: (S)-2-methyl-pentanoyl chloride
• 英文别名: (S)-methylpropylacetic acid-chloride；(S)-Methylpropylessigsaeure-chlorid；2-Methyl-valeryl chloride；(2S)-2-methylpentanoyl chloride
• CAS: 25548-83-8
• 化学式: C₆H₁₁ClO
• 分子量: 134.606
• InChiKey: MFIQXAVMTLKUJR-YFKPBYRVSA-N

物化性质

• 沸点：
  140.4±8.0 °C(Predicted)
• 密度：
  0.986±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (S)-2-methyl-pentanoyl chloride 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Levene; Mikeska, Journal of Biological Chemistry, 1929, vol. 84, p. 579

  摘要：

  DOI：
• 作为产物：
  描述：

  (S)-2-甲基戊酸 在 氯化亚砜 作用下， 反应 2.0h， 生成 (S)-2-methyl-pentanoyl chloride
  参考文献：
  名称：

  芳香族和脂肪族醛与 3-(Thiophen-2-yl)-5-Pyrazolone 的超声辅助缩合：合成、表征和立体选择性应用

  摘要：

  一种绿色高效的 1-(2,4-二硝基苯基)-3-(噻吩-2-基)-1 H-吡唑-5(4 H )-一 ( 1 ) 与芳香族和不同比例的脂肪醛合成含有吡唑啉酮和吡喃并吡唑部分的新型杂环化合物。使用超声波和传统方法进行反应。超声处理确保了反应速率和产率的更高效率。通过不同的光谱方法阐明了合成化合物的结构。此外，使用 1-(2,4-二硝基苯基)-4-(羟甲基)-3-(噻吩-2-基)-1 H实现了 (R)- 和 (S)- α -烷基化酸的对映选择性合成-吡唑-5(4 H)-one( 6 )作为手性助剂,高效制备(S)-4-Methyl-5-nonanol红棕象甲聚集信息素并用于红棕象甲的诱捕。

  DOI：

  10.1002/jhet.4551

文献信息

• ETHYNYL DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130090347A1

  公开（公告）日：2013-04-11

  The present invention relates to ethynyl derivatives of formula I wherein U, V, W, Y, R, R 1 , R 2 , R 3 and R 3′ are as described herein. It has been found that the compounds of general formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I的乙炔衍生物，其中U、V、W、Y、R、R1、R2、R3和R3'如本文所述。已发现一般公式I的化合物是代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。
• [EN] ETHYNYL DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS D'ÉTHYNYLE COMME MODULATEURS DU RÉCEPTEUR MÉTABOTROPIQUE AU GLUTAMATE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013050460A1

  公开（公告）日：2013-04-11

  The present invention relates to ethynyl derivatives of formula I wherein Y is N or CH; with the proviso that Y can only be CH, if at least on of U, V or W are N; U is N or C-R4; V and W are independently N or CH; with the proviso that only one of U, V or W can be simultaneously nitrogen; R4 is hydrogen, methyl or halogen; R1 is phenyl or heteroaryl, which are optionally substituted by halogen, lower alkyl or lower alkoxy; R is hydrogen or lower alkyl; R2 is hydrogen, lower alkyl, lower alkoxy, CF3 or S-lower alkyl; are independently from each other hydrogen, lower alkyl or lower alkoxy; or R3 and R3 form together a C3-5-cycloalkyl-, tetrahydrofuran- or an oxetane-ring; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. It has been found that the compounds of general formula I are allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式I的乙炔基衍生物，其中Y是N或CH；条件是，如果至少U、V或W中的一个是N，则Y只能是CH；U是N或C-R4；V和W独立地为N或CH；条件是U、V或W中只能同时有一个是氮；R4是氢、甲基或卤素；R1是苯基或杂芳基，它们可被卤素、低级烷基或低级烷氧基取代；R是氢或低级烷基；R2是氢、低级烷基、低级烷氧基、CF3或S-低级烷基；它们独立地是氢、低级烷基或低级烷氧基；或者R3和R3共同形成一个C3-5-环烷基、四氢呋喃或环氧环烷环；或者是一种药用可接受的酸加成盐，是一种外消旋混合物，或者是其相应的对映体和/或光学异构体和/或立体异构体。研究发现，通用公式I的化合物是代谢型谷氨酸受体亚型5（mGluR5）的别构调节剂。
• Hexanhydronaphthalene ester derivatives, their preparation and their therapeutic uses
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0605230A1

  公开（公告）日：1994-07-06

  Compounds of formula (I): [wherein R1 represents a group of formula (II) or (III): R2 is alkyl, alkenyl or alkynyl ; R3 and R4 are each hydrogen, alkyl, alkenyl or alkynyl ; R5 is hydrogen or a carboxy-protecting group ; Ra is hydrogen or a group of formula and -OR6 ; R6, R6a and R6b are each hydrogen, a hydroxy-protecting group, alkyl, alkanesulphonyl, halogenated alkanesulphonyl or arylsulphonyl] and their salts and esters have the ability to inhibit the synthesis of cholesterol, and can thus be used for the treatment and prophylaxis of hypercholesterolemia and of various cardiac disorders.

  式(I)化合物： [其中 R1 代表式 (II) 或 (III) 的基团： R2 是烷基、烯基或炔基；R3 和 R4 分别是氢、烷基、烯基或炔基；R5 是氢或羧基保护基团；Ra 是氢或式和 -OR6 的基团；R6、R6a 和 R6b 分别为氢、羟基保护基团、烷基、烷磺酰基、卤代烷磺酰基或芳基磺酰基]及其盐和酯具有抑制胆固醇合成的能力，因此可用于治疗和预防高胆固醇血症和各种心脏疾病。
• Alkylation of acid chlorides by alkylrhodium(I) complexes
  作者：L. S. Hegedus、P. M. Kendall、S. M. Lo、J. R. Sheats

  DOI：10.1021/ja00852a020

  日期：1975.9
• Biotransformations of γ-methyl-β-ketosulfones: stereoselectivity of 3-methyl-1-(phenylsulfonyl)hexan-2-one reductions by various yeasts
  作者：Aleš Svatoš、Zdenka Huňková、Vladimír Křen、Michal Hoskovec、David Šaman、Irena Valterová、Jan Vrkoč、Bohumír Koutek

  DOI：10.1016/0957-4166(96)00145-0

  日期：1996.5

  The stereoselectivity of the reduction of rac-3-methyl-1-(phenylsulfonyl)hexan-2-one (1) to 3-methyl-1-(phenylsulfonyl)hexan-2-ol (2) diastereomers by more than 20 yeasts was studied. Reduction of carbonyl group in 1 proceeds with a high Re-face enantioselectivity: Candida guillermondii (98.9% e.e.), C. zeylanoides (>99.9%), and Kloeckera apiculata (99.6%), respectively and the (R)-1 enantiomer usually reacted faster. The enantioselectivity was determined by GC on chiral cyclodextrine phases and absolute configurations of products were assigned by NMR spectroscopy and a chemical correlation. Copyright (C) 1996 Elsevier Science Ltd