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丁-3-烯基丁-3-烯酸酯 | 96995-12-9

中文名称
丁-3-烯基丁-3-烯酸酯
中文别名
——
英文名称
3-butenyl 3-butenoate
英文别名
But-3-en-1-yl but-3-enoate;but-3-enyl but-3-enoate
丁-3-烯基丁-3-烯酸酯化学式
CAS
96995-12-9
化学式
C8H12O2
mdl
——
分子量
140.182
InChiKey
MJOHDNZQKKAVJE-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:
    173.1±19.0 °C(Predicted)
  • 密度:
    0.908±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    10
  • 可旋转键数:
    6
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.38
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

上下游信息

  • 下游产品
    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:
    丁-3-烯基丁-3-烯酸酯 生成 ((Z)-1-But-3-enyloxy-buta-1,3-dienyloxy)-tert-butyl-dimethyl-silane
    参考文献:
    名称:
    混合乙烯基乙烯酮缩醛的通用方法:1-叔丁基二甲基甲硅烷氧基-1-乙氧基丁二烯在环己烯酮合成中的使用
    摘要:
    各种混合乙烯基乙烯酮缩醛3的成功进入,扩展了这些中间体在环己烯酮合成中的参与。
    DOI:
    10.1016/s0040-4039(01)80823-6
  • 作为产物:
    描述:
    3-丁烯-1-醇乙烯基乙酸 以53%的产率得到丁-3-烯基丁-3-烯酸酯
    参考文献:
    名称:
    Oligomers as Intermediates in Ring-Closing Metathesis
    摘要:
    Oligomerization is kinetically favored in RCM reactions catalyzed by RuCl2(PCy3)(IMes)(=CHPh), for a range of unhindered , alpha,omega-dienes leading to large or medium-sized rings, even at dilutions designed to minimize intermolecular reaction. Reversible metathesis (i.e., ethenolysis) is inhibited by rapid volatilization of ethylene. At appropriately high dilutions, however, the RCM products are efficiently liberated by backbiting.
    DOI:
    10.1021/ja067531t
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文献信息

  • Metathesis Reactions
    申请人:Apeiron Catalysts Sp. zo.o.
    公开号:US20140288342A1
    公开(公告)日:2014-09-25
    Described herein an apparatus and methods used to remove unwanted by-products of metathesis reactions.
    本文描述了用于去除交换反应中不需要产物的装置和方法。
  • Substrate Encapsulation: An Efficient Strategy for the RCM Synthesis of Unsaturated ϵ-Lactones
    作者:Emily B. Pentzer、Tendai Gadzikwa、SonBinh T. Nguyen
    DOI:10.1021/ol8022227
    日期:2008.12.18
    A facile substrate-encapsulated RCM-based synthesis of 7-membered lactones is reported. Coordination of the alpha,omega-dienyl ester precursor to the bulky Lewis acid (LA) aluminum tris(2,6-diphenylphenoxide) (ATPH) provides a protective extended steric pocket to the olefin moieties, thereby favoring intramolecular RCM over intermolecular ADMET oligomerization. The LA-encapsulated esters undergo ring-closure in the presence of Ru-based olefin metathesis catalysts to give previously difficult-to-access 7-membered beta,gamma- and gamma,delta-unsaturated lactones in good yields.
  • LOMBARDO, L., TETRAHEDRON LETT., 1985, 26, N 3, 381-384
    作者:LOMBARDO, L.
    DOI:——
    日期:——
  • Z-SELECTIVE OLEFIN METATHESIS CATALYSTS AND THEIR SYNTHETIC PROCEDURE
    申请人:Endo Koji
    公开号:US20140106960A1
    公开(公告)日:2014-04-17
    The invention relates to C—H activated olefin metathesis catalyst compounds, the preparation of such compounds, and the use of such catalysts in the metathesis of olefins and olefin compounds, more particularly, the use of such catalysts in Z selective olefin metathesis reactions. In general, the catalyst compounds of the invention comprise a Group 8 metal (M), an alkylidene moiety (═CR 1 R 2 ), or more generally (═(C) m CR 1 R 2 ), an anionic ligand (X 1 ), two or three neutral ligands (L 1 , L 2 , and L 3 ) and a 2-electron anionic donor bridging moiety (Q*) that forms a chelate ring structure in conjunction with L1 and M. Such catalysts generally correspond to the formula X 1 (L 3 ) k L 2 L 1 Q*M=(C) m CR 1 R 2 , wherein X1 is any anionic ligand, L 1 , L 2 , and L 3 are, independently, any neural electron donor ligand, k is 0 or 1, m is 0, 1, or 2, Q* is a 2-electron anionic donor bridging moiety linking L 1 and M, M is a Group 8 transition metal, and R 1 and R 2 are, independently, hydrogen, hydrocarbyl, substituted hydrocarbyl, heteroatom-containing hydrocarbyl, substituted heteroatom-containing hydrocarbyl, or functional groups. The invention has utility in the fields of catalysis, organic synthesis, polymer chemistry, and industrial and fine chemicals chemistry.
  • US9403738B2
    申请人:——
    公开号:US9403738B2
    公开(公告)日:2016-08-02
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