1-氯-3-甲基戊烷 | 62016-93-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 1-氯-3-甲基戊烷
• 英文名称: 1-chloro-3-methylpentane
• CAS: 62016-93-7
• 化学式: C₆H₁₃Cl
• 分子量: 120.622
• InChiKey: NRLWLQUJUTWEJD-UHFFFAOYSA-N

物化性质

• 熔点：
  -35.1°C (estimate)
• 沸点：
  124.13°C (estimate)
• 密度：
  0.8775

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-氯-3-甲基戊烷 生成 3-methylpentylmagnesium chloride
  参考文献：
  名称：

  PROCESS FOR PREPARING A 3,7-DIMETHYLALKANE COMPOUND

  摘要：

  The present invention relates to a process for preparing a 3,7-dimethylalkane compound (3): wherein n is 5 or 6, the process comprising: subjecting a nucleophilic reagent, 2,6-dimethyloctyl compound (1): wherein M 1 represents Li, Mg Z 1 , CuZ 1 , or CuLiZ 1 , wherein Z 1 represents a halogen atom or a 2,6-dimethyloctyl group, to a coupling reaction with an electrophilic alkyl reagent (2): wherein X 1 represents a halogen atom or a p-toluenesulfonate group, and “n” is as defined above, to form the 3,7-dimethylalkane compound (3).

  公开号：

  US20230159412A1
• 作为产物：
  描述：

  3-甲基-1-戊醇 在 吡啶 、 氯化亚砜 作用下， 以40%的产率得到1-氯-3-甲基戊烷
  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

• Reagent-dictated site selectivity in intermolecular aliphatic C–H functionalizations using nitrogen-centered radicals
  作者：Anthony M. Carestia、Davide Ravelli、Erik J. Alexanian

  DOI：10.1039/c8sc01756e

  日期：——

  The site selectivities of intermolecular, aliphatic C–H bond functionalizations are central to the value of these transformations. While the scope of these reactions continues to expand, the site selectivities remain largely dictated by the inherent reactivity of the substrate C–H bonds. Herein, we introduce reagent-dictated site selectivity to intermolecular aliphatic C–H functionalizations using

  分子间脂肪族C–H键官能化的位点选择性对于这些转化的价值至关重要。尽管这些反应的范围不断扩大，但位点的选择性仍主要取决于底物CH键的固有反应性。在本文中，我们介绍了使用氮中心的酰胺基对分子间脂肪族CH官能化进行试剂控制的位点选择性。对酰胺的简单修饰可在一系列简单和复杂的底物上导致分子间C–H功能化中较高的位点选择性。DFT计算表明，反应中以氮为中心的自由基的空间需求在很大程度上受到起始酰胺取代模式的影响。
• PROCESS FOR PREPARING 6-ISOPROPENYL-3-METHYL-9-DECENYL ACETATE, AND INTERMEDIATES THEREFOR
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20220017447A1

  公开（公告）日：2022-01-20

  The present invention provides a process for preparing 6-isopropenyl-3-methyl-9-decenyl acetate (5): wherein Ac represents an acetyl group, the process comprising steps of: subjecting a 2-methyl-2,6-heptadiene compound (1) having a leaving group X at position 1: wherein X represents an acyloxy group having 1 to 10 carbon atoms including the carbon atom of the carbonyl group, an alkanesulfonyloxy group having 1 to 10 carbon atoms, an arenesulfonyloxy group having 6 to 20 carbon atoms, or a halogen atom, to a nucleophilic substitution reaction with a 3-methylpentyl nucleophilic reagent (2) having a protected hydroxyl group at position 5: wherein M represents Li, MgZ 1 , ZnZ 1 , Cu, CuZ 1 , or CuLiZ 1 , wherein Z 1 represents a halogen atom or a CH 2 CH 2 CH(CH 3 )CH 2 CH 2 OR group, and R represents a protecting group for a hydroxyl group, to form a 6-isopropenyl-3-methyl-9-decene compound (3) having a protected hydroxyl group at position 1: wherein R is as defined above; subjecting the 6-isopropenyl-3-methyl-9-decene compound (3) having the protected hydroxyl group at position 1 to a deprotection reaction to form 6-isopropenyl-3-methyl-9-decenol (4); and acetylating 6-isopropenyl-3-methyl-9-decenol (4) to form 6-isopropenyl-3-methyl-9-decenyl acetate (5).

  本发明提供了一种制备6-异丙烯基-3-甲基-9-癸烯基醋酸酯（5）的方法：其中Ac代表乙酰基，该方法包括以下步骤：将在位置1具有一个离去基X的2-甲基-2,6-庚二烯化合物（1）进行亲核取代反应，其中X代表一个含有1至10个碳原子的乙酰氧基，一个含有1至10个碳原子的烷基磺酰氧基，一个含有6至20个碳原子的芳基磺酰氧基，或一个卤素原子；与在位置5具有被保护羟基的3-甲基戊基亲核试剂（2）进行亲核取代反应，其中M代表Li、MgZ1、ZnZ1、Cu、CuZ1或CuLiZ1，其中Z1代表卤素原子或CH2CH2CH(CH3)CH2CH2OR基团，R代表羟基的保护基团，形成具有在位置1处保护羟基的6-异丙烯基-3-甲基-9-癸烯化合物（3）；将具有在位置1处保护羟基的6-异丙烯基-3-甲基-9-癸烯化合物（3）进行去保护反应，形成6-异丙烯基-3-甲基-9-癸烯醇（4）；将6-异丙烯基-3-甲基-9-癸烯醇（4）醋酰化，形成6-异丙烯基-3-甲基-9-癸烯基醋酸酯（5）。
• [EN] NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] DÉRIVÉS DE BENZAMIDINE NOUVEAU, PROCÉDÉ DE PREPARATION CORRESPONDANT ET COMPOSITION PHARMACEUTIQUE LES CONTENANT
  申请人：DONG WHA PHARM IND CO LTD

  公开号：WO2006014087A1

  公开（公告）日：2006-02-09

  The present invention relates to novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same. The novel benzamidine derivatives of the present invention are useful for the prevention and treatment of osteoporosis, bone fractures and allergic inflammatory diseases .

  本发明涉及新型苯甲酰胺衍生物，其制备方法以及包含相同物质的药物组合物。本发明的新型苯甲酰胺衍生物可用于预防和治疗骨质疏松症、骨折和过敏性炎症性疾病。
• Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same
  申请人：Lee Jin Soo

  公开号：US20100240890A1

  公开（公告）日：2010-09-23

  The present invention relates to novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same. The novel benzamidine derivatives of the present invention are useful for the prevention and treatment of osteoporosis, bone fractures and allergic inflammatory diseases.

  本发明涉及新型苯甲酰胺衍生物、其制备方法以及包含其的药物组合物。本发明的新型苯甲酰胺衍生物对于预防和治疗骨质疏松、骨折和过敏性炎症疾病有用。
• COMPOUNDS ACT AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE
  申请人：Allergan, Inc.

  公开号：US20150080446A1

  公开（公告）日：2015-03-19

  The present invention provides a compound, that is a 1-[(2-[(alkyl or aryl)methyl]oxy}halo or haloalkyl substituted-phenyl)alkyl]-5-hydrocarbyl or substituted hydrocarbyl-1H-pyrazole carboxylic acid or alkylenylcarboxylic acid or a hydrocarbyl or substituted hydrocarbyl sulfonamide of said carboxylic acid or said alkylenylcarboxylic acid, provided however said compound is not a 3-carboxylic acid, a sulfonamide thereof, or a 3-methylenylcarboxylic acid. The compound may be represented by the following formula Wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, W, X and Y are as defined in the specification. The compounds may be administered to treat DP1, FP, EP1, TP and/or EP4 receptor mediated diseases or conditions.

  本发明提供了一种化合物，该化合物是1-[(2-[(烷基或芳基)甲基]氧}卤代或卤代烷基取代的苯基)烷基]-5-烃基或取代烃基-1H-吡唑酸或烷基羧酸或所述羧酸的烷基烯基羧酸或所述烷基烯基羧酸的烃基或取代烃基磺酰胺，但是所述化合物不是3-羧酸，其磺酰胺或3-亚甲基羧酸。该化合物可以用以下公式表示 其中R1，R2，R3，R4，R5，R6，X，W，X和Y在说明书中定义。这些化合物可以用于治疗DP1、FP、EP1、TP和/或EP4受体介导的疾病或病症。