2-Bromo-2-methyl-pentanoyl bromide | 143247-69-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 2-Bromo-2-methyl-pentanoyl bromide
• 英文别名: 2-Bromo-2-methylpentanoyl bromide；2-bromo-2-methylpentanoyl bromide
• CAS: 143247-69-2
• 化学式: C₆H₁₀Br₂O
• 分子量: 257.953
• InChiKey: FNZKLRUMLQUHQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  2-Bromo-2-methyl-pentanoyl bromide 在 吡啶 作用下， 生成 1-(2-Methyl-trans-penten-(2)-oyl)-3-benzyl-harnstoff
  参考文献：
  名称：

  Roehnert,H., Journal fur praktische Chemie (Leipzig 1954), 1966, vol. 32, p. 265 - 273

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基戊酸 在 三溴化磷 、 溴 作用下， 生成 2-Bromo-2-methyl-pentanoyl bromide
  参考文献：
  名称：

  二价氟化铜与甲酰胺基团之间的相互作用使叔烷基卤化物的立体保留氟化

  摘要：

  铜催化的立体特异性氟化反应允许合成带有含氟叔碳立体异构中心的分子，否则难以合成。基于使用富含对映体的 α-卤代甲酰胺和廉价的 CsF，反应可以通过有效的二价铜/甲酰胺相互作用来控制。这种新方法能够以立体保持的方式生成叔烷基氟化物。

  DOI：

  10.1002/anie.202301343

文献信息

• The synthetic protocol for α-bromocarbonyl compounds via brominations
  作者：Yumi Murata、Kentaro Takeuchi、Takashi Nishikata

  DOI：10.1016/j.tet.2019.03.048

  日期：2019.5

  α-bromocarbonyl compounds are not summarized. Generally, α-bromocarbonyl compounds can be synthesized from the corresponding carboxylic acids via α-bromo acid bromide, but the brominations of carboxylic acids are sometimes problematic. In this paper, we will report some technical information for a bromination and synthetic examples of representative α-bromocarbonyl compounds.

  在适当的引发剂（例如铜盐）存在下，α-溴羰基化合物很容易生成α自由基。最近，使用α-溴羰基化合物作为叔烷基源的叔烷基化反应被认为是最重要的烷基化反应之一。使用α-溴代羰基化合物的反应正在增加，而各种官能化的α-溴代羰基化合物的合成方法尚未总结。通常，可以通过α-溴酸溴化物从相应的羧酸合成α-溴羰基化合物，但是羧酸的溴化有时是有问题的。在本文中，我们将报告溴化的一些技术信息以及代表性的α-溴羰基化合物的合成实例。
• Access to α-Cyano Carbonyls Bearing a Quaternary Carbon Center by Reductive Cyanation
  作者：Xinyi Ren、Chaoren Shen、Guangzhu Wang、Zhanglin Shi、Xinxin Tian、Kaiwu Dong

  DOI：10.1021/acs.orglett.1c00465

  日期：2021.4.2

  was developed, providing various α-cyano ketones, esters, and carboxamides containing a nitrile-bearing all-carbon quaternary center in good to excellent yields under mild reaction conditions. The corresponding reaction mechanism involving in situ generated organozinc reagent and reactivity distinction was elucidated by density functional theory computation.

  开发了使用亲电子氰化试剂和锌还原剂对叔烷基溴进行还原性氰化的反应，在温和的反应条件下，提供了多种含氰基全碳四元中心的α-氰基酮，酯和羧酰胺，收率良好。通过密度泛函理论计算，阐明了相应的反应机理，包括原位生成的有机锌试剂和反应性的区别。
• Copolymers
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US10590309B2

  公开（公告）日：2020-03-17

  A polyacrylate-polyolefin copolymer and composition for volatile solvent-free coating comprising such compounds having the following structure: wherein “PO” is a polyolefin having a number average molecular weight of at least 300 g/mole, and “Ar” is selected from the group consisting of C6 to C20 aryls, a C7 to C32 alkylaryls, a C6 to C20 aryloxys, and halogen substituted C6 to C20 aryls and C7 to C32 alkylaryls, while the other variables are as described herein. The copolymers can be produced in an alkylation reaction between the desired polyacrylate and a vinyl/vinylidene-terminated polyolefin.

  一种聚丙烯酸酯-聚烯烃共聚物和用于挥发性无溶剂涂料的组合物，其中包含具有以下结构的此类化合物： 其中，"PO "是平均分子量至少为 300 克/摩尔的聚烯烃，"Ar "选自 C6 至 C20 芳基、C7 至 C32 烷基芳基、C6 至 C20 芳氧基和卤素取代的 C6 至 C20 芳基和 C7 至 C32 烷基芳基组成的组，其他变量如本文所述。共聚物可在所需的聚丙烯酸酯和乙烯基/亚乙烯基封端聚烯烃之间的烷基化反应中生成。
• Block Copolymers of Polyacrylates and Polyolefins
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20160257841A1

  公开（公告）日：2016-09-08

  A polyacrylate-polyolefin block copolymer and composition for volatile solvent-free coating comprising such compounds having the following structure: wherein “PO” is a polyolefin having a number average molecular weight of at least 300 g/mole, and “Ar” is selected from the group consisting of C6 to C20 aryls, a C7 to C32 alkylaryls, a C6 to C20 aryloxys, and halogen substituted C6 to C20 aryls and C7 to C32 alkylaryls, while the other variables are as described herein. The block copolymers can be produced in an alkylation reaction between the desired polyacrylate and a vinyl/vinylidene-terminated polyolefin.
• [EN] BLOCK COPOLYMERS OF POLYACRYLATES AND POLYOLEFINS<br/>[FR] COPOLYMÈRES SÉQUENCÉS DE POLYACRYLATES ET DE POLYOLÉFINES
  申请人：EXXONMOBIL CHEMICAL PATENTS INC

  公开号：WO2016144415A1

  公开（公告）日：2016-09-15

  A polyacrylate-polyolefin block copolymer and composition for volatile solvent-free coating comprising such compounds having the following structure: wherein "PO" is a polyolefin having a number average molecular weight of at least 300 g/mole, and "Ar" is selected from the group consisting of C6 to C20 aryls, a C7 to C32 alkylaryls, a C6 to C20 aryloxys, and halogen substituted C6 to C20 aryls and C7 to C32 alkylaryls, while the other variables are as described herein. The block copolymers can be produced in an alkylation reaction between the desired polyacrylate and a vinyl/vinylidene- terminated polyolefin.