1,2-二甲基-5-(1-甲基乙烯基)环己-2-烯-1-醇 | 85710-64-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1,2-二甲基-5-(1-甲基乙烯基)环己-2-烯-1-醇
• 英文名称: 5-isopropenyl-1,2-dimethyl-cyclohex-2-enol
• 英文别名: 5-Isopropenyl-1,2-dimethylcyclohex-2-enol；1,2-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
• CAS: 85710-64-1
• 化学式: C₁₁H₁₈O
• 分子量: 166.263
• InChiKey: HEQAZIVVKGWMEA-UHFFFAOYSA-N

物化性质

• 沸点：
  105-107 °C(Press: 12 Torr)
• 密度：
  0.9425 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,2-二甲基-5-(1-甲基乙烯基)环己-2-烯-1-醇 在 草酸 作用下， 生成 3,4-dimethylcumene
  参考文献：
  名称：

  Klages; Sommer, Chemische Berichte, 1906, vol. 39, p. 2312

  摘要：

  DOI：
• 作为产物：
  描述：

  methylaluminum bis(2,4,6-tri-tert-butylphenoxide) 以31%的产率得到
  参考文献：
  名称：

  MARUOKA, KEIJI;ITOH, TAKAYUKI;SAKURA, MINORU;NONOSHITA, KATSUMASA;YAMAMOT+, J. AMER. CHEM. SOC., 110,(1988) N 11, 3588-3597

  摘要：

  DOI：

文献信息

• Unusual conjugate addition of organolithium reagent to α, β-unsaturated ketone
  作者：Keiji Maruoka、Katsumasa Nonoshita、Hisashi Yamamoto

  DOI：10.1016/s0040-4039(00)96824-2

  日期：1987.1

  The conjugate addition of organolithium reagent to α, β-unsaturated ketone has been accomplished with methylaluminum bis(2, 6-di-tert-butyl-4-alkylphenoxide) (MAD and MAT). Here combination of alkyllithium and MAD (or MAT) constitutes an amphiphilic system that allows to exhibit unusual selectivity in the alkylation of enones with alkyllithium.

  用甲基铝双（2,6-二叔丁基-4-烷基酚盐）（MAD和MAT）可将有机锂试剂共轭加到α，β-不饱和酮上。此处，烷基锂和MAD（或MAT）的组合构成了两亲体系，该体系在烯酮与烷基锂的烷基化反应中表现出不同寻常的选择性。
• Synthesis of beta-elemene, intermediates thereto, analogues and uses thereof
  申请人：Huang Lan

  公开号：US20060014987A1

  公开（公告）日：2006-01-19

  The present invention provides convergent processes for preparing beta-elemene, and analogues thereof. Also provided are analogues related to beta-elemene and intermediates useful for preparing the same. The present invention further provides novel compositions based on analogues of beta-elemene and methods for the treatment of cancer, such as brain tumor, lung cancer, colorectal cancer, gastric intestional cancer, and stomach cancer.

  本发明提供了制备β-艾莫烯及其类似物的汇聚过程。还提供与β-艾莫烯相关的类似物和用于制备它们的中间体。本发明还提供了基于β-艾莫烯类似物的新型组合物和用于治疗癌症（如脑肿瘤、肺癌、结直肠癌、胃肠癌和胃癌）的方法。
• Synthesis of (1)-beta-elemene, (-)-beta-elemenal, (-)-beta-elemenol, (-)-beta-elemene fluoride and their analogues, intermediates, and composition and uses thereof
  申请人：Huang Lan

  公开号：US20070135526A1

  公开（公告）日：2007-06-14

  The present invention provides convergent processes for preparing (−)-beta-elemene, (−)-beta-elemenal, (−)-beta-elemenol, and (−)-beta-elemene fluoride and analogues thereof. Also provided are intermediates useful for preparing (−)-beta-elemene. The present invention further provides novel compositions based on analogues of (−)-beta-elemene, (−)-beta-elemenal, (−)-beta-elemenol, (−)-beta-elemene fluoride and methods for the treatment of cancer, such as brain tumor, lung cancer, breast cancer, prostate cancer, ovarian cancer, colorectal cancer, gastric intestional cancer, and stomach cancer. The inventors propose a combination therapy using 1) one or more of the following anti-cancer agents: including, but not limited to, Cisplatin, 5-FU, Taxol, Taxol derivatives, and any anti-cancer agent, and 2) one or more of the following (−)-beta-elemene and its analogs, including (−)-beta-elemene, (−)-beta-elemenal, (−)-beta-elemenol, (−)-beta-elemene fluoride, and their analogs, and (−)-beta-elemene's intermediate in its chemical synthesis, for the treatment of cancer, especially for the treatment of brain tumor, lung cancer, ovarian cancer, bladder cancer, cervical cancer, colon cancer, breast cancer, and prostate cancer.

  本发明提供了制备(−)-β-电子烯、(−)-β-电子烯醛、(−)-β-电子烯醇、(−)-β-电子烯氟化物及其类似物的收敛过程。还提供了用于制备(−)-β-电子烯的中间体。本发明进一步提供了基于(−)-β-电子烯、(−)-β-电子烯醛、(−)-β-电子烯醇、(−)-β-电子烯氟化物的类似物的新型组合物，以及用于治疗癌症，如脑肿瘤、肺癌、乳腺癌、前列腺癌、卵巢癌、结直肠癌、胃肠道癌和胃癌的方法。发明人提出了一种组合疗法，使用1)以下一种或多种抗癌药物：包括但不限于顺铂、5-FU、紫杉醇、紫杉醇衍生物和任何抗癌药物；以及2)以下一种或多种(−)-β-电子烯及其类似物，包括(−)-β-电子烯、(−)-β-电子烯醛、(−)-β-电子烯醇、(−)-β-电子烯氟化物及其类似物，以及(−)-β-电子烯在其化学合成中的中间体，用于治疗癌症，特别是用于治疗脑肿瘤、肺癌、卵巢癌、膀胱癌、宫颈癌、结肠癌、乳腺癌和前列腺癌。
• Rupe; Emmerich, Chemische Berichte, 1908, vol. 41, p. 1400
  作者：Rupe、Emmerich

  DOI：——

  日期：——
• MARUOKA, KEIJI;NONOSHITA, KATSUMASA;YAMAMOTO, HISASHI, TETRAHEDRON LETT., 28,(1987) N 46, 5723-5726
  作者：MARUOKA, KEIJI、NONOSHITA, KATSUMASA、YAMAMOTO, HISASHI

  DOI：——

  日期：——