isopropylbis(o-methylphenyl)phosphane | 625856-26-0

• 物质功能分类: 有机原料 - 有机膦化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: isopropylbis(o-methylphenyl)phosphane
• 英文别名: bis(2-methylphenyl)isopropylphosphane；Bis(2-methylphenyl)(propan-2-yl)phosphane；bis(2-methylphenyl)-propan-2-ylphosphane
• CAS: 625856-26-0
• 化学式: C₁₇H₂₁P
• 分子量: 256.327
• InChiKey: NTEYIKHSWSUBHL-UHFFFAOYSA-N

物化性质

• 沸点：
  348.1±31.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 isopropylbis(o-methylphenyl)phosphane 以 乙醚 为溶剂， 以91.9%的产率得到trans-dichlorobis[isopropylbis(o-methylphenyl)phosphane]palladium(II)
  参考文献：
  名称：

  Palladium‐Catalyzed Suzuki–Miyaura Cross‐Coupling of Various Aryl Halides Using ortho ‐Alkyl‐Substituted Arylphosphanes and ( ortho ‐Alkylphenyl)alkylphosphanes under Microwave Heating

  摘要：

  AbstractMono‐ and dinuclear palladium(II) chloride complexes of various ortho‐alkyl‐substituted aryl‐ and alkylphosphanes were prepared. Subsequently, these were characterized by 1H NMR and 31P{1H} NMR spectroscopy, X‐ray crystallographic studies and mass spectroscopy. The palladium complexes were screened as potential catalysts for the microwave‐assisted Suzuki–Miyaura coupling reaction of several aryl halides under aerobic conditions. A preliminary study showed that excellent results can be obtained even for electron‐rich bromides and unactivated aryl chlorides with an optimized solvent, base and catalyst loading using specific phosphane ligands. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejic.200700705

文献信息

• METHOD FOR PRODUCING FLUOROVINYL ETHER COMPOUND
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20210284593A1

  公开（公告）日：2021-09-16

  An object of the present invention is to provide, for example, a novel method for synthesizing a fluorovinyl ether compound from a fluorine-containing vinyl compound. This problem is solved by a method for producing a compound represented by formula (1): wherein R a1 is a hydrogen atom, a halogeno group, an alkyl group, a fluoroalkyl group, or an aromatic group optionally having one or more substituents, Rf is a fluoro group or a perfluoroalkyl group, R a2 is a hydrogen atom, a halogeno group, an alkyl group, a fluoroalkyl group, or an aromatic group optionally having one or more substituents, or (i) R a1 and R a2 , (ii) R a1 and Rf, or (iii) Rf and R a2 may be linked to each other, R b1 is R S , R b2 is a hydrogen atom or R S , R b3 is a hydrogen atom or R S , or two or three of R b1 , R b2 , and R b3 , taken together with the adjacent carbon atom, may form a ring optionally having one or more substituents, and R S , in each occurrence, is the same or different and represents a hydrocarbon group optionally having one or more substituents, the method comprising step A of reacting a compound represented by formula (2): wherein R x is a leaving group, and other symbols are as defined above, with a compound represented by formula ( 3 ): wherein the symbols in the formula are as defined above, in the presence of a transition metal catalyst.

  本发明的一个目标是提供一种从含氟乙烯化合物合成氟乙烯醚化合物的新方法。这个问题通过以下方法解决：生产一个由以下式表示的化合物的方法(1)：其中Ra1是氢原子、卤素基团、烷基基团、氟烷基基团或可能具有一个或多个取代基的芳香基团，Rf是氟基团或全氟烷基基团，Ra2是氢原子、卤素基团、烷基基团、氟烷基基团或可能具有一个或多个取代基的芳香基团，或(i) Ra1和Ra2、(ii) Ra1和Rf或(iii) Rf和Ra2可能连接在一起，Rb1是RS，Rb2是氢原子或RS，Rb3是氢原子或RS，或者Rb1、Rb2和Rb3中的两个或三个，与相邻的碳原子一起，可以形成一个可能具有一个或多个取代基的环，RS在每次出现时相同或不同，表示一个可能具有一个或多个取代基的碳氢基团，该方法包括以下步骤：步骤A，将由以下式表示的化合物(2)：其中Rxis是一个离去基团，和上述其他符号的定义相同，与由以下式表示的化合物(3)：其中式中的符号与上述定义相同，在过渡金属催化剂存在下反应。
• [EN] PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO<br/>[FR] PROCÉDÉS DE PRÉPARATION DE COMPOSÉS ANTAGONISTES DES OPIOÏDES PÉRIPHÉRIQUES ET DES INTERMÉDIAIRES DE CEUX-CI
  申请人：ADOLOR CORP

  公开号：WO2013012871A1

  公开（公告）日：2013-01-24

  Novel processes for the preparation of peripheral opioid antagonist compounds and intermediates thereto. The compounds prepared by the present processes may be useful, for example, as antagonists to the mu, kappa and delta opioid receptors, and thereby may be useful in the treatment of gastrointestinal motility disorders, and in preventing peripheral opiate induced side effects. The present processes may offer improved yields, chemical or stereochemical purity, ease of preparation and/or isolation of intermediates and final product, and more industrially useful reaction conditions and workability.

  用于制备外周阿片受体拮抗剂化合物及其中间体的新型工艺。通过本工艺制备的化合物可能可用作mu、kappa和delta阿片受体的拮抗剂，从而可能在治疗胃肠动力障碍和预防外周阿片诱导的副作用方面有用。本工艺可能提供更高的产率、化学或立体化纯度、中间体和最终产品的制备和分离的便利性，以及更具工业应用的反应条件和可操作性。
• Synthesis of new o-alkyl substituted arylalkylphosphanes: study of their molecular structure and influence on rhodium-catalyzed propene and 1-hexene hydroformylation
  作者：Helena Riihimäki、Teija Kangas、Pekka Suomalainen、Heidi K Reinius、Sirpa Jääskeläinen、Matti Haukka、A.O.I Krause、Tapani A Pakkanen、Jouni T Pursiainen

  DOI：10.1016/s1381-1169(03)00026-8

  日期：2003.6

  of new phosphane ligands designed to increase the branched-to-normal ratio of the hydroformylation reaction were prepared in the same way as the previously reported ortho-alkyl substituted arylphosphanes, which have shown increased i/n ratios in the hydroformylation of propene and 1-hexene. In order to determine the relationship between the catalytic behavior and stereoelectronic properties of the

  以与先前报道的邻烷基取代的芳基膦相同的方式，制备了一组设计用于增加加氢甲酰化反应的支链-正态比的新膦配体，后者在丙烯和甲酰胺的加氢甲酰化中显示出增加的i / n比。 1-己烯。为了确定配体的催化行为与立体电子性质之间的关系，将各种官能烷基（甲基，异丙基，环己基）直接置于磷原子上，并置于与磷连接的苯环的邻位。在丙烯和1-己烯的加氢甲酰化反应中，较高的i / n与三苯基膦相比，几乎所有配体的比率都得到了提高。另外，随着邻烷基取代基变大，它对i-选择性具有有利的影响。配体的表征通过NMR光谱进行（主要是， }， }，HSQC / HETCOR和COZY-90）。还通过量子力学计算和合成三种Rh（aCAC）（CO）（PR 3）衍生物研究了配体的性质。所述ø -烷基取代基被取向在（2-己基苯基）二环己基膦和（2,5-二甲基苯基）的X射线晶体结构的配位体的锥角之外的双（4-吡啶基）膦，和Rh（ACAC）（一氧化碳）（PR
• METHOD FOR PRODUCING BUTADIENE COMPOUND
  申请人：Daikin Industries, Ltd.

  公开号：EP3643694A1

  公开（公告）日：2020-04-29

  An object of the present invention is to provide a method for easily and efficiently producing a butadiene compound. The object can be achieved by a method for producing a compound represented by formula (1): wherein R1a, R1b, R2a, R2b, R3a, and R3b are the same or different, and each represent a hydrogen atom, a fluorine atom, an alkyl group, a fluoroalkyl group, or an aryl group; provided that at least one of R1a, R1b, R2a, R2b, R3a, and R3b represents a fluorine atom or a fluoroalkyl group; or one or more moieties among a R1a-C-R2a moiety, a R1b-C-R2b moiety, a R1a-C=C-R3a moiety, and a R1b-C=C-R3b moiety are the same or different, and each may form a non-aromatic carbon ring that may be substituted with one or more fluorine atoms; and each single bond expressed by a wavy line shows that the configuration with respect to a double bond to which the single bond is bonded is E configuration, Z configuration, or a mixture thereof at any ratio; the method comprising step A of subjecting a compound represented by formula (2a): wherein Xa represents a chlorine atom, a bromine atom, or an iodine atom, and the other symbols are as defined above, and a compound represented by formula (2b): wherein Xb represents a chlorine atom, a bromine atom, or an iodine atom, and the other symbols are as defined above, to a coupling reaction in the presence of (1) a metal catalyst and (2) one or more reducing agents selected from the group consisting of (a) transition metal elements in the 4th period, (b) metal elements in group 12, (c) metal elements in group 13, (d) organic reducing agents, and (e) carbon monoxide.

  本发明的目的是提供一种简便高效地生产丁二烯化合物的方法。本发明的目的可以通过生产由式（1）表示的化合物的方法来实现： 其中 R1a、R1b、R2a、R2b、R3a 和 R3b 相同或不同，且各自代表氢原子、氟原子、烷基、氟烷基或芳基； 条件是 R1a、R1b、R2a、R2b、R3a 和 R3b 中至少有一个代表氟原子或氟烷基；或 R1a-C-R2a 基团、R1b-C-R2b 基团、R1a-C=C-R3a 基团和 R1b-C=C-R3b 基团中的一个或多个基团相同或不同，每个基团可形成一个可被一个或多个氟原子取代的非芳香族碳环；以及 用波浪线表示的每个单键表明，相对于与该单键成键的双键的构型是 E 型构型、Z 型构型或其任意比例的混合物； 该方法包括步骤 A：将式(2a)代表的化合物： 其中 Xa 代表氯原子、溴原子或碘原子，其他符号如上定义，以及式 (2b) 所代表的化合物： 其中 Xb 代表氯原子、溴原子或碘原子，其他符号如上所定义，在 (1) 金属催化剂和 (2) 选自 (a) 第 4 周期过渡金属元素、(b) 第 12 族金属元素、(c) 第 13 族金属元素、(d) 有机还原剂和 (e) 一氧化碳组成的组中的一种或多种还原剂存在下进行偶联反应。
• METHOD FOR PRODUCING FLUOROVINYL AMIDE COMPOUND
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：EP3892611A1

  公开（公告）日：2021-10-13

  An object of this disclosure provides a novel method for producing a fluorovinyl amide compound and the like. The object is achieved by a method for producing a compound represented by formula (1): wherein Rf is -F or fluoroalkyl, Ra1 is -H or an organic group, and Ra2 is -H or an organic group, or (i) Ra1 and Ra2, (ii) Ra1 and Rf, or (iii) Rf and Ra2, may be linked to each other, Rb1is -H or an organic group, and Rb2 is -H or an organic group, or Rb1and Rb2 may be linked together with their adjacent atoms to form a nitrogen-containing ring optionally having one or more substituents, the method comprising step A of reacting a compound represented by formula (2): wherein Rx is a leaving group, with a compound represented by formula (3) or a salt thereof: in the presence of a transition metal catalyst.

  本公开的目的是提供一种生产氟乙烯基酰胺化合物等的新方法。该目的是通过生产由式（1）表示的化合物的方法来实现的： 其中 Rf是-F或氟烷基、 Ra1 是-H 或有机基团，以及 Ra2 是-H 或有机基团，或 (i) Ra1 和 Ra2，(ii) Ra1 和 Rf，或 (iii) Rf 和 Ra2 可以相互连接、 Rb1 是-H 或有机基团，以及 Rb2 是-H 或有机基团，或 Rb1 和 Rb2 可与相邻原子相连，形成可选具有一个或多个取代基的含氮环、 该方法包括 步骤 A：使式 (2) 所代表的化合物发生反应： 其中 Rx 是离去基团、 与式 (3) 所代表的化合物或其盐反应： 在过渡金属催化剂存在下进行反应。