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2-butyl-1-methyl-1-pentyl-2,3-butadien-1-ol | 141375-87-3

中文名称
——
中文别名
——
英文名称
2-butyl-1-methyl-1-pentyl-2,3-butadien-1-ol
英文别名
3-butyl-2-phenyl-3,4-pentadien-2-ol
2-butyl-1-methyl-1-pentyl-2,3-butadien-1-ol化学式
CAS
141375-87-3
化学式
C15H20O
mdl
——
分子量
216.323
InChiKey
SRQBNRCAFNGVAI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    336.7±22.0 °C(Predicted)
  • 密度:
    0.941±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.8
  • 重原子数:
    16.0
  • 可旋转键数:
    5.0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    20.23
  • 氢给体数:
    1.0
  • 氢受体数:
    1.0

反应信息

  • 作为反应物:
    描述:
    2-butyl-1-methyl-1-pentyl-2,3-butadien-1-olN-溴代丁二酰亚胺(NBS) 作用下, 以 乙腈 为溶剂, 生成 3-(1-Bromoethenyl)-3-phenylheptan-2-one
    参考文献:
    名称:
    Two-step allylic carbon insertion between ketone carbonyl and α carbons giving α-quaternary α-vinyl ketones
    摘要:
    Ketones 1 were converted to of-quaternary of-vinyl ketones 2 by a two-step formal allylic carbon insertion between ketone carbonyl and alpha carbons, which involves the reaction of 1 with propargyltitanium reagents, derived from propargyl carbonates 3 and a divalent titanium reagent Ti(O-i-Pr)(4)/2i-PrMgCl, and the following rearrangement of the resulting alpha-allenyl alcohols 4 with NBS. (c) 2008 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.tetlet.2008.09.068
  • 作为产物:
    描述:
    苯乙酮 、 Ethyl hept-2-ynyl carbonate 在 titanium(IV) isopropoxide 、 异丙基氯化镁 作用下, 以 乙醚 为溶剂, 反应 3.5h, 生成 2-butyl-1-methyl-1-pentyl-2,3-butadien-1-ol
    参考文献:
    名称:
    Two-step allylic carbon insertion between ketone carbonyl and α carbons giving α-quaternary α-vinyl ketones
    摘要:
    Ketones 1 were converted to of-quaternary of-vinyl ketones 2 by a two-step formal allylic carbon insertion between ketone carbonyl and alpha carbons, which involves the reaction of 1 with propargyltitanium reagents, derived from propargyl carbonates 3 and a divalent titanium reagent Ti(O-i-Pr)(4)/2i-PrMgCl, and the following rearrangement of the resulting alpha-allenyl alcohols 4 with NBS. (c) 2008 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.tetlet.2008.09.068
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文献信息

  • Allyl-, Allenyl-, and Propargyl-Transfer Reactions through Cleavage of CC Bonds Catalyzed by an N-Heterocyclic Carbene/Copper Complex: Synthesis of Multisubstituted Pyrroles
    作者:Masahiro Sai、Hideki Yorimitsu、Koichiro Oshima
    DOI:10.1002/anie.201100631
    日期:2011.3.28
    Cat. in the bag: The pictured copper complex can promote CC bond cleavage through retro‐allylation of homoallyl alcohols to form allylcopper species. This process is applicable to catalytic allylation of aldehydes and imines with homoallyl alcohols. The method has also been extended to regioselective allenylation and propargylation of imines.
    猫。在袋:此图片的铜配合物可促进Ç 通过高烯丙基醇的复古烯丙基化C键裂解,形成allylcopper物种。该方法适用于醛和亚胺与高烯丙基醇的催化烯丙基化。该方法还扩展到亚胺的区域选择性烯丙基化和炔丙基化。
  • Preparation of polyfunctional allenic alcohols by the regioselective addition of functionalized propargylic chromium(III) organometallics to carbonyl compounds
    作者:Kevin Belyk、Michael J. Rozema、Paul Knochel
    DOI:10.1021/jo00041a006
    日期:1992.7
    The reaction of propargylic halides 1 (X = Cl, Br) with an aldehyde or ketone (0.67 equiv) in the presence of CrCl2 (2.0 equiv) and LiI (2 equiv, necessary if X = Cl) affords allenic alcohols 3 with excellent regioselectivities (3-6% of the regioisomeric acetylenic alcohol 4 is formed) and in good yields (68-90%). Interestingly, this method allows the generation of highly functionalized intermediate propargylic chromium organometallics contained an ester, cyano, or chloride functionality. The alpha-alkyl-substituted propargylic bromide 10 reacts with benzaldehyde yielding the acetylenic alcohol 11 as a diastereomeric mixture of only one regioisomer (90% yield).
  • Two-step allylic carbon insertion between ketone carbonyl and α carbons giving α-quaternary α-vinyl ketones
    作者:Jing-Qian He、Daisuke Shibata、Chihaya Ohno、Sentaro Okamoto
    DOI:10.1016/j.tetlet.2008.09.068
    日期:2008.11
    Ketones 1 were converted to of-quaternary of-vinyl ketones 2 by a two-step formal allylic carbon insertion between ketone carbonyl and alpha carbons, which involves the reaction of 1 with propargyltitanium reagents, derived from propargyl carbonates 3 and a divalent titanium reagent Ti(O-i-Pr)(4)/2i-PrMgCl, and the following rearrangement of the resulting alpha-allenyl alcohols 4 with NBS. (c) 2008 Elsevier Ltd. All rights reserved.
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