1-Brom-3-isobutyl-5-methyl-2-hexen | 21378-12-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: 1-Brom-3-isobutyl-5-methyl-2-hexen
• 英文别名: 1-Bromo-3-isobutyl-5-methyl-2-hexen；1-bromo-3-isobutyl-5-methyl-2-hexene；4-(2-bromoethylidene)-2,6-dimethylheptane
• CAS: 21378-12-1
• 化学式: C₁₁H₂₁Br
• 分子量: 233.192
• InChiKey: QEJPOMAKYLPNKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 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-Brom-3-isobutyl-5-methyl-2-hexen 、 sodium benzenesulfonate 在 sodium iodide 、 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 生成 (3-isobutyl-5-methyl-2-hexenyl)-phenyl-sulfone
  参考文献：
  名称：

  Cyclopropanecarboxylic acids and esters

  摘要：

  新型环丙烷羧酸及其酯类化合物，其通式为##STR1##其中Z1和Z2选自氢、烷基、芳烷基、芳基、非共轭于环丙烷环的烯基、非共轭于环丙烷环的烯基、环烷基、环烯基和杂环；R选自OH和OR'，其中R'选自可能被取代的低级烷基、可能被取代在苯基或亚甲基部分的苄基、N-亚甲基二羧亚胺、(5-苄基-呋喃-3)甲基，以及通式为##STR2##的环戊烯，其中R"选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环；A为选自以下结构的二价烷基基团：##STR3##其中R1选自氢和低级烷基，R2和R3选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环，并与它们所连接的碳原子一起形成选自3至7个碳原子的碳同环和非饱和碳同环以及可能被低级烷基或低级烷氧基取代的杂环环，R2和R3可以一起形成多环芳香族基团，R4为低级烷基，R5选自氢和低级烷基，且R4和R5与它们所连接的碳原子一起可以形成饱和或非饱和碳同环或杂环环，Y选自亚甲基和饱和或非饱和碳链，Y'选自甲川基和饱和或非饱和碳链，但当Z1和Z2为甲基且R1为氢时，R2不得为甲基，以及它们的制备方法。

  公开号：

  US03997586A1

文献信息

• Cyclopropanecarboxylic acid chlorides
  申请人：Roussel Uclaf

  公开号：US04101574A1

  公开（公告）日：1978-07-18

  Novel cyclopropanecarboxylic acids and esters of the formula ##STR1## wherein Z.sub.1 and Z.sub.2 are selected from the group consisting of hydrogen, alkyl, aralkyl, aryl, alkenyl non-conjugated with the cyclopropane ring, alkynyl non-conjugated with the cyclopropane ring, cycloalkyl, cycloalkenyl and heterocyclic; R is selected from the group consisting of OH and OR' in which R' is selected from the group consisting of lower alkyl which may be substituted, benzyl which may be substituted on the phenyl or methylene portion, N-methylene-dicarboximide, (5-benzyl-furyl-3) methyl, and a cyclopentene of the formula ##STR2## WHEREIN R" is selected from the group consisting of alkyl, alkynyl, alkenyl, aryl, aralkyl, cycloalkyl, cycloalkenyl and heterocyclic; A is a bivalent alkyl radical selected from the group consisting of ##STR3## WHEREIN R.sub.1 is selected from the group consisting of hydrogen and lower alkyl, R.sub.2 and R.sub.3 are selected from the group consisting of alkyl, alkynyl, alkenyl, aryl, aralkyl, cycloalkyl, cycloalkenyl and heterocyclic and taken together with the carbon atom to which they are attached form a ring selected from the group consisting of carbon homo rings and unsaturated carbon homo rings of 3 to 7 carbon atoms and heterocyclic rings which may be substituted with lower alkyl or lower alkoxy and R.sub.2 and R.sub.3 may together form a polycyclic aromatic radical, R.sub.4 is lower alkyl, R.sub.5 is selected from the group consisting of hydrogen and lower alkyl and R.sub.4 and R.sub.5 together with the carbon atoms to which they are attached may form a saturated or unsaturated carbon homo ring or a heterocyclic ring, Y is selected from the group consisting of methylene and a saturated or unsaturated carbon chain and Y' is selected from the group consisting of methine and a saturated or unsaturated carbon chain with the proviso that when Z.sub.1 and Z.sub.2 are methyl and R.sub.1 is hydrogen, R.sub.2 is other than methyl and their preparation.

  新型环丙烷羧酸和酯的化学式为##STR1##其中Z.sub.1和Z.sub.2选自氢、烷基、芳基烷基、芳基、不与环丙烷环共轭的烯基、不与环丙烷环共轭的炔基、环烷基、环烯基和杂环基；R选自OH和OR'的群，其中R'选自下列群：可被取代的低烷基、苯甲基（可能在苯基或亚甲基部分上被取代）、N-亚甲基-二羧酐、（5-苯甲基呋喃-3）甲基和化学式为##STR2##其中R"选自烷基、炔基、烯基、芳基、芳基烷基、环烷基、环烯基和杂环基；A是二价烷基基团，选自下列群：##STR3##其中R.sub.1选自氢和低烷基，R.sub.2和R.sub.3选自烷基、炔基、烯基、芳基、芳基烷基、环烷基、环烯基和杂环基，并与它们所附着的碳原子一起形成选自下列群的环：含3至7个碳原子的碳同系环和不饱和碳同系环和杂环环，其中杂环环可能被低烷基或低烷氧基取代，R.sub.2和R.sub.3可以一起形成多环芳基基团，R.sub.4是低烷基，R.sub.5选自氢和低烷基，R.sub.4和R.sub.5与它们所附着的碳原子一起可以形成饱和或不饱和的碳同系环或杂环，Y选自亚甲基和饱和或不饱和的碳链，Y'选自甲基和饱和或不饱和的碳链，但当Z.sub.1和Z.sub.2为甲基，R.sub.1为氢，R.sub.2不为甲基时，不在此范围内。这些化合物的制备方法。
• US3997586A
  申请人：——

  公开号：US3997586A

  公开（公告）日：1976-12-14
• US4101574A
  申请人：——

  公开号：US4101574A

  公开（公告）日：1978-07-18
• US4206140A
  申请人：——

  公开号：US4206140A

  公开（公告）日：1980-06-03