1-bromo-3-isopropyl-4-methylpent-2-ene | 1115-21-5

• 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-bromo-3-isopropyl-4-methylpent-2-ene
• 英文别名: 1-bromo-3-isopropyl-4-methyl-pent-2-ene；1-Brom-4-methyl-3-isopropyl-penten-(2)；1-Bromo-3-isopropyl-4-methyl-2-penten；1-Brom-3-isopropyl-4-methyl-2-penten；1-Bromo-3-isopropyl-4-methyl-2-pentene；1-bromo-4-methyl-3-propan-2-ylpent-2-ene
• CAS: 1115-21-5
• 化学式: C₉H₁₇Br
• 分子量: 205.138
• InChiKey: OAQMBAJEEXIOAB-UHFFFAOYSA-N

物化性质

• 沸点：
  92 °C(Press: 32 Torr)
• 密度：
  1.112±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 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-bromo-3-isopropyl-4-methylpent-2-ene 、 乙酰乙酸乙酯钠 在 甲醇 作用下， 生成 6-isopropyl-7-methyl-oct-5-en-2-one
  参考文献：
  名称：

  Nasarow et al., Doklady Akademii Nauk SSSR, 1957, vol. 114, p. 1242,1244

  摘要：

  DOI：

文献信息

• A Radical Roundabout for an Unprecedented Tandem Reaction Including a Homolytic Substitution with a Titanium-Oxygen Bond
  作者：Andreas Gansäuer、Björn Rinker、Noëllie Ndene-Schiffer、Marianna Pierobon、Stefan Grimme、Mareike Gerenkamp、Christian Mück-Lichtenfeld

  DOI：10.1002/ejoc.200400001

  日期：2004.6

  Conceptually novel homolytic substitutions (SH2) of ClCp2Ti−O bonds with benzylic, secondary and tertiary alkyl radicals are described. The intermediates and crucial transition structures were studied by DFT methods. The resulting atom economical radical tandem reaction can be utilized for the synthesis of structurally complex tetrahydrofurans from simple starting materials and is therefore of interest

  描述了具有苄基、仲烷基和叔烷基自由基的 ClCp2Ti-O 键的概念新颖的均裂取代 (SH2)。通过 DFT 方法研究了中间体和关键的过渡结构。由此产生的原子经济自由基串联反应可用于从简单的起始材料合成结构复杂的四氢呋喃，因此对天然产物合成很感兴趣。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
• Cyclopropanecarboxylic acids and esters
  申请人：Roussel-UCLAF

  公开号：US03997586A1

  公开（公告）日：1976-12-14

  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, alkenyl 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.

  化合物的名称为新型环丙烷羧酸和酯，其化学式为##STR1## 其中Z.sub.1和Z.sub.2的取值包括氢、烷基、芳基烷基、芳基、非与环丙烷环共轭的烯基、非与环丙烷环共轭的烯基、环烷基、环烯基和杂环基；R的取值包括OH和OR'，其中R'的取值包括可被取代的低烷基、苯甲基（苯环或亚甲基部分可被取代）、N-亚甲基双酰亚胺、（5-苯甲基呋喃-3）甲基和化学式为##STR2## 其中R"的取值包括烷基、炔基、烯基、芳基、芳基烷基、环烷基、环烯基和杂环基；A是一种二价烷基基团，其取值包括##STR3## 其中R.sub.1的取值包括氢和低烷基，R.sub.2和R.sub.3的取值包括烷基、炔基、烯基、芳基、芳基烷基、环烷基、环烯基和杂环基，并且它们与它们附着的碳原子一起形成3到7个碳原子的碳同族环和不饱和碳同族环和可被取代的杂环，R.sub.2和R.sub.3可以一起形成多环芳香基团，R.sub.4是低烷基，R.sub.5的取值包括氢和低烷基，R.sub.4和R.sub.5与它们附着的碳原子一起可以形成饱和或不饱和的碳同族环或杂环，Y的取值包括亚甲基和饱和或不饱和的碳链，Y'的取值包括亚甲基和饱和或不饱和的碳链，但当Z.sub.1和Z.sub.2为甲基且R.sub.1为氢时，R.sub.2不为甲基。
• Novel cyclopropanecarboxylic acids and esters
  申请人：Roussel Uclaf

  公开号：US04206140A1

  公开（公告）日：1980-06-03

  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 substitued 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.

  化合物的名称为新型环丙烷羧酸和酯，其化学式为##STR1##其中Z.sub.1和Z.sub.2选择自氢、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；R选择自OH和OR'，其中R'选择自可以被取代的低烷基、可以在苯环或亚甲基部分上被取代的苄基、N-亚甲基-二酰亚胺、(5-苄基呋喃-3)甲基和化学式为##STR2##其中R"选择自烷基、炔基、烯基、芳基、芳基烷基、环烷基、环烯基和杂环；A是一个双价烷基基团，选择自##STR3##其中R.sub.1选择自氢和低烷基，R.sub.2和R.sub.3选择自烷基、炔基、烯基、芳基、芳基烷基、环烷基、环烯基和杂环，并与它们附着的碳原子一起形成选择自碳同系环和不饱和碳同系环的3至7个碳原子和杂环环，该杂环环可以用低烷基或低烷氧基取代，R.sub.2和R.sub.3可以共同形成多环芳香基团，R.sub.4是低烷基，R.sub.5选择自氢和低烷基，R.sub.4和R.sub.5与它们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选择自亚甲基和饱和或不饱和的碳链，Y'选择自亚甲基和饱和或不饱和的碳链，但是当Z.sub.1和Z.sub.2为甲基且R.sub.1为氢时，R.sub.2除了甲基外，还有其他基团。这些化合物的制备方法也在描述中提及。
• 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