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threo-3-methyl-2-pentanol

中文名称
——
中文别名
——
英文名称
threo-3-methyl-2-pentanol
英文别名
anti-2-hydroxy-3-methylpentane;(2S,3R)-3-methylpentan-2-ol
threo-3-methyl-2-pentanol化学式
CAS
——
化学式
C6H14O
mdl
——
分子量
102.177
InChiKey
ZXNBBWHRUSXUFZ-RITPCOANSA-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

计算性质

  • 辛醇/水分配系数(LogP):
    1.7
  • 重原子数:
    7
  • 可旋转键数:
    2
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 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:
    threo-3-methyl-2-pentanol三氟乙酸酐吡啶 作用下, 反应 0.5h, 生成 erythro-1,2-dimethylbutyl trifluoroacetate
    参考文献:
    名称:
    Short-lived intermediates. 8. Excited states, regioselectivity, and stereospecificity in the photochemistry of (R,S:S,R)- and (R,R:S,S)-1,2-dimethylbutyl trifluoroacetate
    摘要:
    DOI:
    10.1021/ja00529a048
  • 作为产物:
    描述:
    反-3-甲基-2-戊烯氢氧化钾 、 sodium tetrahydroborate 、 三氟化硼乙醚双氧水 作用下, 生成 threo-3-methyl-2-pentanol
    参考文献:
    名称:
    Short-lived intermediates. 8. Excited states, regioselectivity, and stereospecificity in the photochemistry of (R,S:S,R)- and (R,R:S,S)-1,2-dimethylbutyl trifluoroacetate
    摘要:
    DOI:
    10.1021/ja00529a048
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文献信息

  • Stereochimie de quelques reactions entre aldehydes et reactifs de Grignard satures et allyliques
    作者:H. Felkin、Y. Gault、G. Roussi
    DOI:10.1016/s0040-4020(01)92953-9
    日期:1970.1
    γ-dimethylallyl magnesium bromides) and secondary alkyl [s-butyl magnesium bromide and (1,2-dimethylpropyl) magnesium chloride] Grignard reagents to form pairs of diastereoisomeric alcohols R′—CHMeCHOH—R (R′ = CH2CH, CH2CMe, Et and iPr, respectively). The reactions involving the secondary alkyl Grignard reagents are not stereoselective; those involving the allylic Grignard reagents show some stereoselectivity
    醛R-CHO(R = Me,Et,iPr,tBu)与烯丙基(巴豆基和β,γ-二甲基烯丙基溴化镁)和仲烷基[仲丁基溴化镁和(1,2-二甲基丙基)氯化镁]反应试剂以形成非对映异构的醇对R'-CHMeCHOH-R(R'= CH 2 = CH 3,CH 2 = CMe E,Et和iPr)。涉及二级烷基格氏试剂的反应不是立体选择性的;反之亦然。那些涉及烯丙基格利雅试剂的试剂显示出一定的立体选择性,其方向和大小取决于试剂和醛的结构。
  • Lewis Base-Catalyzed Addition of Trialkylaluminum Compounds to Epoxides
    作者:Christoph Schneider、Jörg Brauner
    DOI:10.1002/1099-0690(200112)2001:23<4445::aid-ejoc4445>3.0.co;2-u
    日期:2001.12
    A novel concept for catalytic epoxide alkylation has been developed. Lewis bases like phosphanes, arsanes, stibanes, and sulfides were found to catalyze the alkylation of symmetrical epoxides with trialkylaluminum compounds very effectively at a 5 mol % level. Cyclic as well as acyclic epoxides were readily alkylated in good yields. In reactions with terminal epoxides a significant enhancement of rate
    已经开发了催化环氧化物烷基化的新概念。发现路易斯碱(如磷烷、砷烷、锑和硫化物)在 5 mol% 的水平下非常有效地催化对称环氧化物与三烷基铝化合物的烷基化。环状和无环环氧化物很容易以良好的产率烷基化。在与末端环氧化物的反应中,在路易斯碱催化过程中注意到速率和/或区域选择性的显着提高。路易斯碱与路易斯酸性铝试剂的配位由 27 Al 和 31 P NMR 光谱证明,并建议形成更亲核的烷基化剂。
  • Lewis base-catalyzed addition of triethylaluminum to epoxides
    作者:Christoph Schneider、Jörg Brauner
    DOI:10.1016/s0040-4039(00)00332-4
    日期:2000.4
    Lewis bases like phosphines, arsines, and antimonies catalyze the nucleophilic addition of triethylaluminum to epoxides very efficiently. They are proposed to coordinate to triethylaluminum with formation of monomeric and more reactive triethylaluminum Lewis base adducts.
    路易斯碱(如膦,砷化氢和锑)非常有效地催化三乙基铝的亲核加成反应。提出它们与三乙基铝配位,形成单体和反应性更高的三乙基铝路易斯碱加合物。
  • P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN
    申请人:Burgey Christopher S.
    公开号:US20110206783A1
    公开(公告)日:2011-08-25
    The subject invention relates to novel P2X 3 receptor antagonists that play a critical role in treating disease states associated with pain, in particular peripheral pain, inflammatory pain, or tissue injury pain that can be treated using a P2X 3 receptor subunit modulator.
    本发明涉及一种新型P2X3受体拮抗剂,该拮抗剂在治疗与疼痛有关的疾病状态中发挥关键作用,特别是可以使用P2X3受体亚单位调节剂治疗的外周疼痛、炎症性疼痛或组织损伤疼痛。
  • Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes
    作者:Xinjun Luan、Ronaldo Mariz、Michele Gatti、Chiara Costabile、Albert Poater、Luigi Cavallo、Anthony Linden、Reto Dorta
    DOI:10.1021/ja800861p
    日期:2008.5.1
    A new class of easily accessible and stable imidazolin-2-ylidenes has been synthesized where the side chains are comprised of substituted naphthyl units. Introduction of the naphthyl groups generates C-2-symmetric (rac) and C-s-symmetric (meso) atropisomers, and interconversion between the isomers is studied in detail both experimentally and computationally. Complete characterization of the carbenes includes rare examples of crystallographically characterized saturated NHC structures. Steric properties of the ligands and an investigation of their stability are also presented. In catalysis, the new ligands show versatility comparable to the most widely used NHCs IMes/SIMes or IPr/SIPr. Excellent catalytic results are obtained when either the NHC salts (ring-opening alkylation of epoxides), NHC-modified palladium compounds (C-C and C-N cross-couplings), or NHC-ruthenium complexes (ring-closing metathesis, RCM) are employed. In several cases, this new ligand family provides catalytic systems of higher reactivity than that observed with previously reported NHC compounds.
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