2-ethyl-[1]naphthoic acid | 1999-98-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-ethyl-[1]naphthoic acid
• 英文别名: 2-Aethyl-[1]naphthoesaeure；2-Ethyl-naphthalin-1-carbonsaeure；2-Ethyl-1-naphthoesaeure；2-Ethylnaphthalene-1-carboxylic acid
• CAS: 1999-98-0
• 化学式: C₁₃H₁₂O₂
• mdl: MFCD00598296
• 分子量: 200.237
• InChiKey: MRDQZUZLQVBBRM-UHFFFAOYSA-N

物化性质

• 熔点：
  132-134 °C
• 沸点：
  369.4±11.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-bromo-2-ethylnaphthalene 在 乙醚 、 magnesium 作用下， 生成 2-ethyl-[1]naphthoic acid
  参考文献：
  名称：

  THE ACTION OF GRIGNARD REAGENTS ON 2-METHOXY-1-NAPHTHONITRILE

  摘要：

  DOI：

  10.1021/jo01162a004

文献信息

• Method for the synthesis of amides and related products from esters or ester-like compounds
  申请人：Gojon-Zorrilla Gabriel

  公开号：US20050027120A1

  公开（公告）日：2005-02-03

  A versatile, eco-friendly, and efficient method for the convenient conversion of esters and ester-like compounds into amides, peptides, carbamates, ureas, oxamides, oxamates, hydrazides, oxazolidinones, pyrazolones, oxazolidinediones, barbituric acids, and other molecules containing one or more OCN moieties in the presence of a diol or polyol is disclosed.

  本发明公开了一种多功能、环保、高效的方法，用于在二醇或多元醇存在的情况下，将酯和类酯化合物方便地转化为酰胺、肽、氨基甲酸酯、脲、氧化酰胺、氧化酰酸酯、肼、噁唑烷酮、噁唑烷二酮、巴比妥酸和其他含有一个或多个OCN基团的分子。
• Catalyst system for polymerisation of an olefin
  申请人：Saudi Basic Industries Corporation

  公开号：EP2837634A1

  公开（公告）日：2015-02-18

  The present invention relates to a catalyst system comprising a procatalyst, a co-catalyst and an external electron donor, wherein the external electron donor comprises a compound having the structure according to Formula I:         Si (L)n (OR1)4-n     (Formula I), wherein, Si is a silicon atom with valency 4+; O is an oxygen atom with valency 2- and O is bonded to Si via the silicon-oxygen bond; n is 1, 2, 3 or 4; R1 is a selected from the group consisting of linear, branched and cyclic alkyl having at most 20 carbon atoms and aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms; L is a group represented by Formula II wherein, L is bonded to the silicon atom via the nitrogen-silicon bond; L has a single substituent on the nitrogen atom, where this single substituent is an imine carbon atom; and X and Y are independently selected from the group consisting of a hydrogen atom; a heteroatom selected from group 13, 14, 15, 16 or 17 of the IUPAC Periodic Table of the Elements; a linear, branched and cyclic alkyl having at most 20 carbon atoms, optionally containing a heteroatom selected from group 13, 14, 15, 16 or 17 of the IUPAC Periodic Table of the Elements and an aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms, optionally containing a heteroatom selected from group 13, 14, 15, 16 or 17 of the IUPAC Periodic Table of the Elements.

  本发明涉及一种催化剂体系，包括前催化剂、共催化剂和外部电子给体，其中所述外部电子给体包括具有以下结构的化合物，其符号如下：         Si(L)n(OR1)4-n     （式I） 其中， Si是一个价态为4+的硅原子； O是一个价态为2-的氧原子，并且O通过硅氧键与Si相连； n为1、2、3或4； R1选择自线性、支链和环烷基，其最多有20个碳原子，以及含有6至20个碳原子的芳香基取代和未取代的碳氢基； L是由以下式子表示的一个基团，其中， L通过氮硅键与硅原子相连； L在氮原子上有一个单取代基团，其中这个单取代基团是一个亚胺碳原子； X和Y独立地选择自氢原子；IUPAC元素周期表的13、14、15、16或17族中的杂原子；最多有20个碳原子的线性、支链和环烷基，可选地含有IUPAC元素周期表的13、14、15、16或17族中的杂原子；以及含有6至20个碳原子的芳香基取代和未取代的碳氢基，可选地含有IUPAC元素周期表的13、14、15、16或17族中的杂原子。
• [EN] CATALYST SYSTEM FOR POLYMERISATION OF AN OLEFIN<br/>[FR] SYSTÈME CATALYSEUR POUR LA POLYMÉRISATION D'UNE OLÉFINE
  申请人：SAUDI BASIC IND CORP

  公开号：WO2015022298A1

  公开（公告）日：2015-02-19

  The present invention relates to a catalyst system comprising a procatalyst, a co-catalyst and an external electron donor, wherein the external electron donor comprises a compound having the structure according to Formula I: Si (L)n (OR11)4-n (Formula I), wherein, Si is a silicon atom with valency 4+; O is an oxygen atom with valency 2- and O is bonded to Si via the silicon-oxygen bond; n is 1, 2, 3 or 4; R11 is a selected from the group consisting of linear, branched and cyclic alkyl having at most 20 carbon atoms and aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms; L is a group represented by (Formula II), wherein, L is bonded to the silicon atom via the nitrogen-silicon bond; L has a single substituent on the nitrogen atom, where this single substituent is an imine carbon atom; and X and Y are independently selected from the group consisting of a hydrogen atom; a heteroatom selected from group 13, 14, 15, 16 or 17 of the IUPAC Periodic Table of the Elements; a linear, branched and cyclic alkyl having at most 20 carbon atoms, optionally containing a heteroatom selected from group 13, 14, 15, 16 or 17 of the IUPAC Periodic Table of the Elements and an aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms, optionally containing a heteroatom selected from group 13, 14, 15, 16 or 7 of the IUPAC Periodic Table of the Elements.

  本发明涉及一种催化剂体系，包括原催化剂、协同催化剂和外部电子供体，其中外部电子供体包括具有以下结构的化合物：Si（L）n（OR11）4-n（式I），其中，Si是具有4价的硅原子；O是具有2价的氧原子，通过硅氧键与Si相连；n为1、2、3或4；R11选自具有最多20个碳原子的线性、支链和环烷基以及具有6至20个碳原子的芳香族取代和未取代的烃基；L是由（式II）表示的一组，其中，L通过氮硅键与硅原子相连；L在氮原子上具有单个取代基，该单个取代基为亚胺碳原子；X和Y分别选自IUPAC元素周期表的13、14、15、16或17族的杂原子、最多含有20个碳原子的线性、支链和环烷基，可以包含来自IUPAC元素周期表的13、14、15、16或17族的杂原子，以及具有6至20个碳原子的芳香族取代和未取代的烃基，可以包含来自IUPAC元素周期表的13、14、15、16或17族的杂原子。
• CATALYST COMPOSITION FOR POLYMERIZATION OF OLEFINS
  申请人：TAFTAF Mansour

  公开号：US20150353656A1

  公开（公告）日：2015-12-10

  A catalyst composition comprising a monoester, the compound represented by formula (I) as an internal electron donor, and optionally an additional internal electron donor selected from a group consisting of diesters and diethers, wherein: R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are hydrogen, straight, branched and cyclic alkyl having at most 20 carbon atoms and aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms, R 7 is a straight, branched and cyclic alkyl having at most 20 carbon atoms and aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms, and R 8 is an aromatic substituted and unsubstituted hydrocarbyl having 6 to 20 carbon atoms. Also described is a process for preparing the polymerization catalyst composition, a polymerization catalyst system comprising the catalyst composition, a co-catalyst and optionally an external electron donor; and use of the catalyst system for polymerization of olefins.

  一种催化剂组合物，包括一种单酯，以式(I)表示的化合物作为内部电子给体，以及可选地选择自二酯和二醚组成的群体中的另一种内部电子给体，其中：R1、R2、R3、R4、R5和R6为氢、直链、支链和环烷基，最多含有20个碳原子，芳香取代和未取代的碳氢化合物，含有6至20个碳原子，R7为直链、支链和环烷基，最多含有20个碳原子，芳香取代和未取代的碳氢化合物，含有6至20个碳原子，R8为含有6至20个碳原子的芳香取代和未取代的碳氢化合物。还描述了一种制备聚合催化剂组合物的方法，包括该催化剂组合物、一个共催化剂和可选的外部电子给体的聚合催化剂体系；以及使用该催化剂体系进行烯烃聚合。
• Controlling Chemoselectivity in Reactions of Unprotected Naphthalene-1-carboxylic Acid with Strong Bases
  作者：David Tilly、Anne-Sophie Castanet、Jacques Mortier

  DOI：10.1246/cl.2005.446

  日期：2005.3

  Whereas treatment of unprotected naphthalene-1-carboxylic acid with alkyllithiums (RLi) affords 1,4-addition products, the reaction with LTMP/Me 3 SiCl under in situ quench conditions provides the arylsilane arising out from the substitution of lithium 2-lithionaphthalene carboxylate with Me 3 SiCl. With the Lochmann-Schlosser superbase (n-BuLi/t-BuOK), metalation occurs preferentially in the position

  用烷基锂 (RLi) 处理未保护的萘-1-羧酸可提供 1,4-加成产物，而在原位骤冷条件下与 LTMP/Me 3 SiCl 的反应提供了由 2-锂萘羧酸锂取代产生的芳基硅烷与我 3 SiCl。对于 Lochmann-Schlosser 超碱 (n-BuLi/t-BuOK)，尽管也形成了周边和邻位、周边二锂化物种，但金属化优先发生在与 CO 2 Li 相邻的位置。