¹³C₃-propene

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: ¹³C₃-propene
• 英文别名: (¹³C)-propene；Propene-13C3, 99 atom % 13C；(1,2,3-13C3)prop-1-ene
• 化学式: C₃H₆
• 分子量: 45.0476
• InChiKey: QQONPFPTGQHPMA-VMIGTVKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  甲醚 、 ¹³C₃-propene 在 H_2.2[Al_2.2Si_93.8O₁₉₂] 作用下， 274.84 ℃ 、130.0 kPa 条件下， 生成 丁烯 、 2-甲基-2-丁烯 、 2-甲基丁烷 、 乙烯
  参考文献：
  名称：

  A descriptor for the relative propagation of the aromatic- and olefin-based cycles in methanol-to-hydrocarbons conversion on H-ZSM-5

  摘要：

  The observed product distribution in methanol-to-hydrocarbons (MTH) catalysis can be rationalized based on the relative rates of propagation of the aromatic- and olefin-based cycles that operate on the zeolite catalyst. We report that the ratio of ethene to 2-methylbutane + 2-methyl-2-butene (ethene/2MB) yield can be used to describe the propagation of aromatic and olefin methylation/cracking cycles. The co-reaction of C-12-ethene with C-13-dimethyl ether (DME) shows that the rate of DME conversion (1.62 mol C (mol Al s)(-1)) is similar to 20 times faster than ethene conversion (0.08 mol C (mol Al s)(-1)), suggesting that ethene can be considered as terminal product for MTH at 623 K. At iso-conversion conditions at 548 K, propene is co-fed with DME to increase propagation of the olefin-based cycle and correspondingly a 1.7-fold decrease in the ethene/2MB yield is observed. Similarly, the co-reaction of toluene with DME increases propagation of the aromatic-based cycle and a 2.1-fold increase in the ethene/2MB yield is observed. The ethene/2MB yield also increased by a factor of 2 as DME conversion increased from 5% to 62%, which is consistent with the observed concurrent increase in selectivity to ethene and methylbenzenes. For the reaction of DME alone, increasing the temperature from 548 K to 723 K increases the propagation of the olefin-based cycle and a corresponding decrease in the ethene/2MB yield from 4.7 to 1.3 is also observed. The ethene/2MB yield varies systematically with feed composition, conversion, and temperature, showing that this ratio describes the relative propagation of the aromatic to olefin methylation/cracking cycles in MTH conversion on H-ZSM-5. (c) 2013 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jcat.2013.03.021
• 作为产物：
  描述：

  碳十三甲醇 在 HZSM-5 zeolite 作用下， 以 gaseous matrix 为溶剂， 生成 ¹³C₃-propene
  参考文献：
  名称：

  Pulse-Quench Catalytic Reactor Studies Reveal a Carbon-Pool Mechanism in Methanol-to-Gasoline Chemistry on Zeolite HZSM-5

  摘要：

  DOI：

  10.1021/ja973920z

文献信息

• ATP-Independent Formation of Hydrocarbons Catalyzed by Isolated Nitrogenase Cofactors
  作者：Chi Chung Lee、Yilin Hu、Markus W. Ribbe

  DOI：10.1002/anie.201108916

  日期：2012.2.20

  Reduce to produce: Molybdenum‐ and vanadium‐nitrogenase cofactors have been isolated and shown to reduce carbon monoxide and cyanide ions to a mixture of alkanes and alkenes in the presence of a strong reductant, europium(II) diethylenetriaminepentaacetate (see scheme). Various hydrocarbons of up to seven carbon atoms in length are detected as products in these ATP‐free reactions.

  还原生成：已分离出钼和钒氮酶辅助因子，并显示在强还原剂二亚乙基三胺五乙酸铕 (II) 存在下，可将一氧化碳和氰化物离子还原为烷烃和烯烃的混合物（参见方案）。在这些不含 ATP 的反应中，检测到各种长达七个碳原子的碳氢化合物作为产物。
• Synthesis and ROMP Chemistry of Decafluoroterphenoxide Molybdenum Imido Alkylidene and Ethylene Complexes
  作者：Jian Yuan、Richard R. Schrock、Laura C. H. Gerber、Peter Müller、Stacey Smith

  DOI：10.1021/om400199u

  日期：2013.5.24

  The bisDFTO alkylidene complexes of molybdenum Mo(NR)(CHCMe2Ph)(DFTO)(2) (R = 2,6-i-Pr2C6H3, 2,6-Me2C6H3, C6F5, 1-adamantyl; DFTO = 2,6-(C6F5)(2)C6H3O) and monoarylcodde monopyrrolide (MAP) complexes Mo(NR)(CHCMe2Ph)(Me(2)Pyr)-(OAr) (Me(2)Pyr = 2,S-dimethylpyrrolide; R = C6F3, OAr = DFTO, 2,6dimesitylphenoxide (HMTO); R = 2,6-Me2C6H3, OAr = DFTO) have been prepared in good yields. Addition of dicarbomethoxynorbornadiene (DCMNBD) to bisDFTO complexes yielded polymers that have a cis,isotactic structure. Polymerization of DCMNBD by Mo(NC6F5)-(CHCMeiPh)(Me(2)Pyr)(HMTO) gives a polymer that contains the expected cis,syndiotactic structure, but polymerization of DCMNBD by Mo(NR)(CHCMe2Ph)(Me(2)Pyr)(DFTO) (R = C6F5, 2,6-Me2C6H3) generates a polymer that has a cis,isotactic structure, the first observation of a cis,isotactic polymer prepared employing a MAP initiator. Norbornene is polymerized to give what is proposed to be highly tactic cis-polyNBE. Addition of ethylene to Mo(NC6F5)(CHCMe2Ph)(DFTO)(2) leads to formation of Mo(NC6F5)(CH2CH2)-(DFTO)(2), which also behaves as an initiator for polymerization of DCMNBD to cis,isotactic-polyDCMNBD and norbornene to cis highly tactic polyNBE. Mo(NC6F5)(CH2CH2)(DFT0)2 reacts with 3-methyl-3-phenylc-yclopropene (MPCP) to give Mo(NC6F5)(CHCHCMePh)(DFTO)(2) in similar to 50% yield.
• Synthesis and Reaction of [(Tp^{<i>i</i>Pr₂})LnH₂]₃ (Ln = Y, Lu) with CO: Trinuclear Cluster-Bound Propenolate en Route to Selective Formation of Propene
  作者：Jianhua Cheng、Michael J. Ferguson、Josef Takats

  DOI：10.1021/ja905679k

  日期：2010.1.13

  The use of the Tp(iPr2) ligand led to the straightforward and high-yield synthesis of rare examples of trinuclear monoligand lanthanide dihydrides, [(Tp(2)(iPr))LnH(2)](3) (Ln = Y, Lu). The Y complex was found to mediate the hydrogenation and coupling of carbon monoxide with exclusive formation of propene via the intermediacy of a cluster-bound propenolate ligand.
• The influence of catalyst acid strength on the methanol to hydrocarbons (MTH) reaction
  作者：Marius Westgård Erichsen、Stian Svelle、Unni Olsbye

  DOI：10.1016/j.cattod.2013.03.017

  日期：2013.10
• Photo-Driven Syngas Conversion to Lower Olefins over Oxygen-Decorated Fe5C2 Catalyst
  作者：Wa Gao、Rui Gao、Yufei Zhao、Mi Peng、Chuqiao Song、Mengzhu Li、Siwei Li、Jinjia Liu、Weizhen Li、Yuchen Deng、Mengtao Zhang、Jinglin Xie、Gang Hu、Zhaosheng Zhang、Run Long、Xiao-Dong Wen、Ding Ma

  DOI：10.1016/j.chempr.2018.09.017

  日期：2018.12

  With the depletion of crude oil and especially the growing demand for lower olefins, the direct conversion of syngas into lower olefins via the Fischer-Tropsch to olefins (FTO) process is a promising alternative for the petroleum route. A photo-driven FTO process can dramatically change the product selectivity over Fe5C2 catalyst, leading to an olefin/paraffin ratio of 10.9 with CO conversion >49%. The selectivity toward CO2 was as low as 18.9%, ensuring a high carbon resource utilization efficiency, and the catalyst showed good stability. Under the photo-irradiation condition, the surface of the Fe5C2 catalyst was spontaneously decorated by O atoms formed in situ, resulting in a high selectivity to olefins, which makes it an excellent catalyst for photo-driven FTO reaction.