2-乙基-2-甲基丁酰氯 | 60545-29-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 中文名称: 2-乙基-2-甲基丁酰氯
• 英文名称: 2-ethyl-2-methylbutyryl chloride
• 英文别名: 2-ethyl-2-methylbutanoyl chloride；2-Ethyl-2-methyl butyryl chloride
• CAS: 60545-29-1
• 化学式: C₇H₁₃ClO
• 分子量: 148.633
• InChiKey: XNAQEDQKXCHDIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  2-乙基-2-甲基丁酰氯 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 生成 2-Ethyl-1-[4-(hydroxy-diphenyl-methyl)-3,4-dihydro-2H-pyridin-1-yl]-2-methyl-butan-1-one
  参考文献：
  名称：

  Formation, structures, and reactions of selected .alpha.'-lithioallyl amides

  摘要：

  DOI：

  10.1021/jo00263a037
• 作为产物：
  描述：

  2-乙基-2-甲基丁酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-乙基-2-甲基丁酰氯
  参考文献：
  名称：

  铜（II）介导的惰性C（sp 3）H键与简单烷基胺的分子间胺化反应，以构建α，α-二取代的β-氨基酸衍生物

  摘要：

  本文公开了使用简单烷基胺作为氨基源的铜（II）介导的惰性C（sp 3）H键的螯合分子间胺化反应。因此，提供了α，α-二取代的β-氨基酸衍生物的直接且经济的步骤。该反应具有良好的官能团耐受性和相对较宽的底物范围。此外，吗啉和自由基抑制剂的2,6-二-之间的偶联产物叔丁基- p甲酚（BHT）分离，表明单电子转移（SET）进程可能在这一转变有关。

  DOI：

  10.1016/j.tetlet.2017.01.079

文献信息

• [EN] CATALYTICS ASYMMETRIC ACTIVATION OF UNACTIVATED C-H BONDS, AND COMPOUNDS RELATED THERETO<br/>[FR] ACTIVATION CATALYTIQUE ASYMETRIQUE DE LIAISONS C-H INACTIVEES ET COMPOSES ASSOCIES
  申请人：UNIV BRANDEIS

  公开号：WO2006026053A1

  公开（公告）日：2006-03-09

  One aspect of the present invention is directed in part to catalytic and stereoselective functionalization of unactivated C-H bonds of simple organic substrates. The compounds and methods provided herein allow one to control the stereochemistry in a C-H activation step, activate substrates containing α-hydrogens next to the directing group, and remove a directing group under mild conditions. One aspect of the present invention relates to a transition-metal-catalyzed method for selective and asymmetric oxidation of carbons located in a β- or Ϝ-position relative to an auxiliary. Another aspect of the invention relates to the enantiomerically-enriched substrates and the enantiomerically-enriched products formed via said method. In certain embodiments, oxazoline and oxazinone directing groups are used. In addition, the Boc protecting group has been identified as a directing group which does not necessitate removal.

  本发明的一个方面部分涉及简单有机底物中未活化C-H键的催化和对映选择性官能团化。本发明提供的化合物和方法允许在C-H活化步骤中控制立体化学，活化含有邻近导向基团的α-氢的底物，并在温和条件下移除导向基团。本发明的另一方面涉及一种过渡金属催化的方法，用于选择性和非对称氧化位于辅助基团β-或Ϝ-位置上的碳。发明的另一个方面涉及通过所述方法形成的对映体富集的底物和对映体富集的产品。在某些实施例中，使用了恶唑啉和恶嗪酮导向基团。此外，Boc保护基团被识别为不需要移除的导向基团。
• Copper-Catalyzed Site-Selective Intramolecular Amidation of Unactivated C(sp³)H Bonds
  作者：Xuesong Wu、Yan Zhao、Guangwu Zhang、Haibo Ge

  DOI：10.1002/anie.201311263

  日期：2014.4.1

  of aliphatic amides, directed by a bidentate ligand, was developed using a copper‐catalyzed sp3 CH bond functionalization process. The reaction favors predominantly the CH bonds of β‐methyl groups over the unactivated methylene CH bonds. Moreover, a preference for activating sp3 CH bonds of β‐methyl groups, via a five‐membered ring intermediate, over the aromatic sp2 CH bonds was also observed in

  脂肪族酰胺的分子内酰胺化脱氢，由双齿配体定向，使用铜-催化的SP被开发3 Ç  H键官能化方法。该反应有利于主要的C  β甲基团与未活化的亚甲基] C H键 H键。此外，用于激活SP的偏好3 Ç  β甲基基团的H键，经由五元环中间，在所述芳族SP 2个ç  H键在环金属化步骤中也观察到。此外，SP 3个Ç 未活化二次属的H键3 Ç 通过使环碳原子优先于线性碳原子，可以使H键官能化。
• Nickel-catalyzed directed sulfenylation of sp² and sp³ C–H bonds
  作者：Xiaohan Ye、Jeffrey L. Petersen、Xiaodong Shi

  DOI：10.1039/c5cc01970b

  日期：——

  Directed sulfenylation of both sp² and sp³ C–H bonds was achieved through nickel catalyzed directed C–S bond formation, giving the desired product in good to excellent yield (up to 90%).

  通过镍催化的定向C-S键形成，实现了对sp2和sp3碳氢键的硫烯化，产率良好至优异（高达90%）。
• Meta-bis anilide derivatives and their utility as herbicides
  申请人：Stauffer Chemical Company

  公开号：US03937729A1

  公开（公告）日：1976-02-10

  Compounds corresponding to the formula: ##SPC1## In which R.sub.1 and R.sub.2 are, independently, hydrogen, alkyl, alkoxyalkyl, cycloalkyl, pinonyl, ethylcycloalkyl, lower alkenyl, halogenated lower alkyl, benzyl, ethylphenyl, 2,4-dichlorophenoxy-methylene, styryl, furyl, phenyl or substituted phenyl in which the substituents are nitro, halogen, methyl, or methoxy; R.sub.3 and R.sub.4 are, independently, hydrogen or lower alkyl; X and Y are independently oxygen or sulfur; and Z is halogen, nitro, amino, lower alkyl, lower alkoxy or trifluoromethyl and n is an integer having a value from 0 to 4. The above compounds are effective herbicides, particularly for the control of grasses and broadleaf plants with both pre-emergence and post-emergence activity. Representative compounds are: m-propionamidobutyranilide, m-bis-2,2-dimethylvaleranilide, m-isobutyramido trichloroacetanilide, m-isobutyramido-2-ethylbutyranilide, m-t-butylacetamidopropionanilide, and 3'-N-ethyl propionamido-propionalide. This application is a continuation of application Ser. No. 180,916, filed Sept. 15, 1971, which is a continuation of application Ser. No. 20,104, filed Mar. 16, 1970, which is a continuation-in-part of application Ser. No. 741,267, filed July 1, 1968, which is a continuation-in-part of application Ser. No. 659,865, filed Aug. 11, 1967, all now abandoned.

  符合公式：##SPC1## 的化合物，其中R1和R2分别独立地为氢、烷基、烷氧基烷基、环烷基、松香基、乙基环烷基、低级烯基、卤代低级烷基、苄基、乙基苯基、2,4-二氯苯氧基亚甲基、苯乙烯基、呋喃基、苯基或取代的苯基，其中取代基为硝基、卤素、甲基或甲氧基；R3和R4分别独立地为氢或低级烷基；X和Y分别独立地为氧或硫；Z为卤素、硝基、氨基、低级烷基、低级烷氧基或三氟甲基，n为0至4之间的整数。上述化合物是有效的除草剂，特别是用于控制具有苗前和苗后活性的禾本科植物和阔叶植物。代表性的化合物包括：m-丙酸酰胺丁酰替苯胺，m-双-2,2-二甲基戊替苯胺，m-异丁酰胺三氯乙酰替苯胺，m-异丁酰胺-2-乙基丁酰替苯胺，m-t-丁基乙酰胺丙酰替苯胺和3'-N-乙基丙酰胺丙酰替苯胺。此申请是1971年9月15日提交的申请Ser. No. 180,916的继续申请，该申请是1970年3月16日提交的申请Ser. No. 20,104的继续申请，该申请是1968年7月1日提交的申请Ser. No. 741,267的继续部分申请，该申请是1967年8月11日提交的申请Ser. No. 659,865的继续部分申请，所有这些申请现在都已放弃。
• Hexahydronaphthalene ester derivatives, their preparation and their
  申请人：Sankyo Company, Limited

  公开号：US05451688A1

  公开（公告）日：1995-09-19

  Compounds of formula (I): ##STR1## [wherein R.sup.1 represents a group of formula (II) or (III): ##STR2## R.sup.2 is alkyl, alkenyl or alkynyl; R.sup.3 and R.sup.4 are each hydrogen, alkyl, alkenyl or alkynyl; R.sup.5 is hydrogen or a carboxy-protecting group; R.sup.a is hydrogen or a group of formula and --OR.sup.6 ; R.sup.6, R.sup.6a and R.sup.6b are each hydrogen, a hydroxy-protecting group, alkyl, alkanesulfonyl, halogenated alkanesulfonyl or arylsulfonyl] 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.

  化合物的化学式（I）：##STR1## [其中R.sup.1代表化学式（II）或（III）的基团：##STR2## R.sup.2是烷基，烯基或炔基；R.sup.3和R.sup.4分别是氢，烷基，烯基或炔基；R.sup.5是氢或羧基保护基团；R.sup.a是氢或化学式和--OR.sup.6的基团；R.sup.6，R.sup.6a和R.sup.6b分别是氢，羟基保护基团，烷基，烷烷基磺酰基，卤代烷烷基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。