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3-甲基己-2-烯-1-醇 | 30801-96-8

中文名称
3-甲基己-2-烯-1-醇
中文别名
——
英文名称
(E)-3-methylhex-2-en-1-ol
英文别名
3-methyl-2-hexen-1-ol;3-Methylhex-2-en-1-ol
3-甲基己-2-烯-1-醇化学式
CAS
30801-96-8
化学式
C7H14O
mdl
——
分子量
114.188
InChiKey
CKWCTBJSFBLMOH-FNORWQNLSA-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:
    178.0±8.0 °C(Predicted)
  • 密度:
    0.845±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    8
  • 可旋转键数:
    3
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.71
  • 拓扑面积:
    20.2
  • 氢给体数:
    1
  • 氢受体数:
    1

SDS

SDS:40d4cfa2f77c6d1165042e31a1992464
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    3-甲基己-2-烯-1-醇 在 lithium hydroxide 、 N-甲基吲哚酮 、 四丙基高钌酸铵 、 四氯化钛N,N-二异丙基乙胺 作用下, 以 四氢呋喃二氯甲烷 为溶剂, 生成 myxopyronin A
    参考文献:
    名称:
    Total Synthesis and Preliminary Antibacterial Evaluation of the RNA Polymerase Inhibitors (±)-Myxopyronin A and B
    摘要:
    DOI:
    10.1021/jo9721610
  • 作为产物:
    描述:
    (E)-6-acetoxy-4-methyl-4-hexenal氢氧化钾乙二醇 作用下, 以 为溶剂, 反应 3.0h, 生成 3-甲基己-2-烯-1-醇
    参考文献:
    名称:
    A Route to the Tetrahydrofuran Segment of Amphidinolides X and Y, and Its Quaternary-Carbon Epimer
    摘要:
    通过迭代的Sharpless不对称环氧化、Pd催化的4,5-环氧-2-烯酸酯的区域选择性加氢解和邻近环氧功能的双键促进的β-羟基环氧化物的不利5-内环闭合,开发了一种简短的方法来合成两性醇类X和Y的四氢呋喃片段。
    DOI:
    10.1055/s-2007-973867
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文献信息

  • 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents
    申请人:IMAX Discovery GmbH
    公开号:EP2832233A1
    公开(公告)日:2015-02-04
    The present invention primarily relates to 1H-pyrrole-2,4-dicarbonyl-derivatives of Formula (I) wherein R1, R2, R3, Z. Z' and J are as defined in the description, to mixtures thereof and to the use thereof as flavoring agents. The compounds in accordance with the present invention are suitable for producing, imparting, or intensifying an umami flavor. The invention further relates to flavoring mixtures, compositions for oral consumption as well as ready-to-eat, ready-to-use and semifinished products, comprising an effective amount of the compound of Formula (I) or of a mixture of compounds of Formula (I) and to specific methods for producing, imparting, modifying and/or intensifying specific flavor impressions.
    本发明主要涉及式(I)的1H-吡咯-2,4-二羰基衍生物,其中R1、R2、R3、Z、Z'和J按描述定义,及其混合物,以及用作调味剂的使用。根据本发明的化合物适用于生产、赋予或增强鲜味。本发明进一步涉及包含式(I)化合物或式(I)化合物混合物的有效量的调味混合物、口腔消费的组成物以及即食、即用和半成品,以及用于生产、赋予、改变和/或增强特定风味印象的特定方法。
  • Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents
    申请人:IMAX Discovery GmbH
    公开号:EP2832234A1
    公开(公告)日:2015-02-04
    The present invention primarily relates to imidazo[1,2-a]pyridine-ylmethyl-derivatives of Formula (I) wherein R1, R2, X, W e J are as defined in the description, to mixtures thereof and to the use thereof as flavoring agents. The compounds in accordance with the present invention are suitable for producing, imparting, or intensifying an umami flavor. The invention further relates to flavoring mixtures, compositions for oral consumption as well as ready-to-eat, ready-to-use and semifinished products, comprising an effective amount of the compound of Formula (I) and to specific methods for producing, imparting, modifying and/or intensifying specific flavor impressions.
    本发明主要涉及式(I)的咪唑[1,2-a]吡啶基甲基衍生物,其中R1、R2、X、W和J如描述中定义,以及涉及它们的混合物和使用它们作为调味剂。根据本发明的化合物适合于产生、赋予或增强鲜味。本发明进一步涉及调味混合物、口腔摄入的配方以及包含有效量的式(I)化合物的即食、即用和半成品,以及用于生产、赋予、改变和/或增强特定风味印象的特定方法。
  • SELECTIVE HYDROGENATION OF ALDEHYDE WITH RU/BIDENTATE LIGANDS COMPLEXES
    申请人:FIRMENICH SA
    公开号:US20140243526A1
    公开(公告)日:2014-08-28
    The present invention relates to processes for the reduction by hydrogenation, using molecular H 2 , of a C 5 -C 20 substrate containing one or two aldehydes functional groups into the corresponding alcohol or diol, characterized in that said process is carried out in the presence of —at least one catalyst or pre-catalyst in the form of a ruthenium complex having a coordination sphere of the N 2 P 2 O 2 , wherein the coordinating atoms N 2 are provided by a first bidentate ligand, the coordinating atoms P 2 are provided by a second bidentate ligand and the coordinating atoms O 2 are provided by two non-linear carboxylate ligands; and —optionally of an acidic additive.
    本发明涉及利用分子H2对含有一个或两个醛基官能团的C5-C20底物进行加氢还原的过程,将其转化为相应的醇或二醇,其特征在于所述过程在以下条件下进行:—至少一种催化剂或前驱体存在,其形式为具有N2P2O2配位球的钌配合物,其中配位原子N2由第一双齿配体提供,配位原子P2由第二双齿配体提供,配位原子O2由两个非线性羧酸盐配体提供;和—可选地加入酸性添加剂。
  • Eu(OTf)<sub>3</sub>-Catalyzed Highly Regioselective Nucleophilic Ring Opening of 2,3-Epoxy Alcohols: An Efficient Entry to 3-Substituted 1,2-Diol Derivatives
    作者:Shun-ichiro Uesugi、Tsubasa Watanabe、Takamichi Imaizumi、Masatoshi Shibuya、Naoki Kanoh、Yoshiharu Iwabuchi
    DOI:10.1021/ol502264y
    日期:2014.9.5
    In our study of the total synthesis of (+)-irciniastatin A, we found a need to develop a method that enables a C3-selective nucleophilic ring opening of 2,3-epoxy alcohol by MeOH, by which we found that the use of combined catalytic amounts of Eu(OTf)3 and 2,6-di-tert-butyl-4-methylpyridine (DTBMP) enables the intended transformation to obtain 3-methoxy-1,2-diol efficiently. Promising features of a
    在我们对(+)-irciniastatin A的总合成的研究中,我们发现有必要开发一种方法,该方法能够使MeOH对2,3-环氧醇进行C3选择性亲核开环,从而发现使用Eu(OTf)3和2,6-二叔丁基-4-甲基吡啶(DTBMP)的组合催化量能够实现预期的转化,从而有效地获得3-甲氧基-1,2-二醇。描述了使用包括醇,硫醇和未保护的胺在内的各种亲核试剂实现2,3-和3,4-环氧醇的高度区域选择性亲核开环的方案的有前景的特征。
  • Enantiocontrol over Acyclic Quaternary Stereocenters by Acylative Organocatalyzed Kinetic Resolution
    作者:Xueyang Liu、Jean‐Marc Pons、Valérie Monnier、Laurence Charles、Adrien Quintard、Cyril Bressy
    DOI:10.1002/ejoc.202101475
    日期:2022.2.11
    We performed an organocatalyzed enantioselective kinetic resolution (KR) of racemic diastereocontrolled secondary alcohols bearing a quaternary stereocenter. This methodology is a general KR leading to the enantiocontrol of acyclic quaternary stereocenter with high levels of stereoselectivity (s up to 185) on a large scope. In addition, the hydroxyl function can easily serve as a traceless group by
    我们对带有季立体中心的外消旋非对映异构仲醇进行了有机催化的对映选择性动力学拆分 (KR)。这种方法是一种通用的 KR,可导致在大范围内具有高水平立体选择性(s 高达 185)的无环四元立体中心的对映控制。此外,羟基官能团很容易通过氧化或还原过程作为无痕基团
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