CH2CCH3C(C3H7-n)O | 62834-80-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: CH2CCH3C(C3H7-n)O
• 英文别名: 2-methyl-hex-1-en-3-one；2-Methyl-hex-1-en-3-on；2-Methylhex-1-en-3-one
• CAS: 62834-80-4
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: HKGCRCBOKALXPA-UHFFFAOYSA-N

物化性质

• 沸点：
  42 °C(Press: 20 Torr)
• 密度：
  0.852 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  CH2CCH3C(C3H7-n)O 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 Methyl-5-methyl-7-ethyl-4,6-dioxo-1-azaadamantan-3-carboxylat
  参考文献：
  名称：

  Risch, Nikolaus, Chemische Berichte, 1985, vol. 118, # 9, p. 4073 - 4085

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-1-己烯-3-炔 在 硫酸 、 mercury(II) oxide 作用下， 生成 CH2CCH3C(C3H7-n)O
  参考文献：
  名称：

  Kupin; Petrow, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 3738,3741;engl.Ausg.S.3695,3698

  摘要：

  DOI：

文献信息

• Insetion d'allenes
  作者：J.L Roustan、A Guinot、P Cadiot

  DOI：10.1016/s0022-328x(00)96194-1

  日期：1980.8

  ketones are generated in moderate yields (50–60%) from allene or a mono-, di- or tri-substituted allenic hydrocarbon, n alkyl halide and sodium tetracarbonylferrate. The first step is the formation of a complex anion which results from transfer of the alkyl group on a coordinated CO, then of the acyl ligand thus formed on the allenic sp carbon. Protonation with acetic acid yields a hydroxy-η4-trimethylenemethane

  α，β-不饱和酮的生成是中等程度的收率（50-60％），来自于烯丙基或单，二或三取代的烯丙基烃，正烷基卤化物和四羰基高铁酸钠。第一步是形成络合阴离子，这是由于烷基转移到配位的CO上，然后转移了在烯丙基sp碳上形成的酰基配体。质子化用乙酸产生一个羟基η 4 -trimethylenemethane，容易异构化为一个η 4 -heterodieneiron三羰基。最后，在用三甲胺氧化物氧化时释放出α，β-不饱和酮。最取代的酮为主。
• A structure/catalytic activity study of gold(<scp>i</scp>)–NHC complexes, as well as their recyclability and reusability, in the hydration of alkynes in aqueous medium
  作者：Gabriela A. Fernández、Alicia B. Chopa、Gustavo F. Silbestri

  DOI：10.1039/c5cy01278c

  日期：——

  Comparative studies were carried out with the addition of different silver salts. Our results indicate that the bulkier complex is the most effective and that the addition of methanol as co-solvent not only shortens reaction times but also stabilizes the less bulky complexes.

  进行了添加不同银盐的比较研究。我们的结果表明，体积较大的配合物效果最好，而甲醇作为共溶剂的添加不仅缩短了反应时间，还稳定了体积较小的配合物。
• Insertion d'allene dans une liaison fer-acyle. Formation de cetones α,β-insaturees a partir du tetracarbonyl ferrate de sodium
  作者：A. Guinot、P. Cadiot、J.L. Roustan

  DOI：10.1016/s0022-328x(00)90144-x

  日期：1977.3

  Disodium tetracarbonylferrate(−II) reacts with alkyl bromides and allene to yield α,β-unsaturated ketones. It is suggested that the reaction proceeds through insertion of “allene” into an ironacyl bond to yield an anionic intermediate which gives a π-heterobutadiene complex after protonation. Oxydation with trimethylamine oxide ultimately yields the ketone.

  四羰基高铁酸二钠（-II）与烷基溴化物和丙二烯反应生成α，β-不饱和酮。建议该反应通过将“丙二烯”插入铁酰基键中而进行，以产生阴离子中间体，该中间体在质子化后得到π-杂丁二烯络合物。用三甲胺氧化物氧化最终产生酮。
• CROSSLINK AGENTS
  申请人：Nunez Ivan M.

  公开号：US20110105779A1

  公开（公告）日：2011-05-05

  Novel crosslink agents are described that provide for the copolymerization of at least one hydrophilic monomer with at least one lens monomer typically used to prepare materials for ophthalmic lenses. The new crosslink agents have a relatively high selectivity for the hydrophilic monomer and limited reactivity with the crosslink agent used to polymerize the lens monomer.

  描述了一种新型交联剂，可实现至少一种亲水单体与至少一种通常用于制备眼镜材料的透镜单体的共聚合。这种新型交联剂对亲水单体具有相对较高的选择性，并且与用于聚合透镜单体的交联剂的反应性有限。
• POLYSILOXANES AND POLYSILOXANE PREPOLYMERS WITH VINYL OR EPOXY FUNCTIONALITY
  申请人：Lai Yu-Chin

  公开号：US20090227804A1

  公开（公告）日：2009-09-10

  Polysiloxanes having vinyl or epoxy functionality. The polysiloxanes are used to form polymer-based materials having properties particularly suited for biomedical device applications. The polysiloxanes are of general formula I: wherein R is a C 2-10 alkenyl, a C 2-10 alkyl with an epoxy group or a C 5 -C 7 cycloalkyl with an epoxy group; R 2 , R 3 and R 4 are each independently selected from the group consisting of hydrogen, C 1-4 alkyl, C 1-4 fluoroalkyl, optionally substituted phenyl and optionally substituted benzyl; A is —OH or —NHR 5 , wherein R 5 is hydrogen or a C 1-3 alkyl; and B is —R 1 -A or —R 6 , wherein R 1 is a linking group having an alkylene group with 2 to 8 carbon atoms wherein the alkylene group optionally includes ether, urethane or ureido linkages; and R 6 is selected from the group consisting of C 1-4 alkyl, optionally substituted phenyl or optionally substituted benzyl; and m and n are integers with an m:n ratio from 30:1 to 3:1.

  具有乙烯基或环氧基功能的聚硅氧烷。这些聚硅氧烷用于形成特别适用于生物医疗器械应用的基于聚合物的材料。这些聚硅氧烷的一般式为I：其中R是C2-10烯丙基，具有环氧基的C2-10烷基或具有环氧基的C5-C7环烷基；R2、R3和R4各自独立地选自氢、C1-4烷基、C1-4氟代烷基、可选取代苯基和可选取代苄基的群；A是—OH或—NHR5，其中R5是氢或C1-3烷基；B是—R1-A或—R6，其中R1是具有2到8个碳原子的烷基链的连接基，其中烷基链可包括醚、脲或脲基连接；R6选自C1-4烷基、可选取代苯基或可选取代苄基的群；m和n是整数，其m:n比为30:1至3:1。