triethyl propane-1,2,3-tricarboxylate | 1188-22-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: triethyl propane-1,2,3-tricarboxylate
• CAS: 1188-22-3
• 化学式: C₁₂H₂₀O₆
• 分子量: 260.287
• InChiKey: VVUFBIBJWWRUPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  triethyl propane-1,2,3-tricarboxylate 在 氢溴酸 作用下， 生成 3-(Bromomethyl)-1,5-dibromopentane
  参考文献：
  名称：

  1-phosphabicyclo[2.2.1]heptane 1-oxide and 1-phosphabicyclo[2.2.2]octane 1-oxide. Syntheses and some properties relative to their monocyclic and acyclic analogs

  摘要：

  DOI：

  10.1021/ja00823a028
• 作为产物：
  描述：

  2-溴丁二酸二乙酯 在 sodium ethanolate 作用下， 生成 triethyl propane-1,2,3-tricarboxylate
  参考文献：
  名称：

  Gelin,R.; Chignac,M., Bulletin de la Societe Chimique de France, 1965, p. 139 - 143

  摘要：

  DOI：

文献信息

• Zn-Mediated Hydrodeoxygenation of Tertiary Alkyl Oxalates
  作者：Hegui Gong、Yang Ye、Guobin Ma、Ken Yao

  DOI：10.1055/a-1328-0352

  日期：2021.10

  Herein we describe a general, mild, and scalable method for hydrodeoxygenation of readily accessible tertiary alkyl oxalates by Zn/silane under Ni-catalyzed conditions. The reduction method is suitable for an array of structural motifs derived from tertiary alcohols that bear diverse functional groups, including the synthesis of a key intermediate en route to estrone.

  本文中，我们描述了在Ni催化条件下通过Zn /硅烷对易获得的叔烷基草酸酯进行加氢脱氧的一般，温和和可扩展的方法。还原方法适用于衍生自带有不同官能团的叔醇的一系列结构基序，包括在通往雌酮的途中合成关键中间体。
• Improved synthesis of trifluoromethyl sulfones used as intermediates for the preparation of di- or tri-substituted olefins
  作者：Fabrice Eugene、Bernard Langlois、Eliane Laurent

  DOI：10.1016/0022-1139(93)02909-x

  日期：1994.3

  Primary and secondary trifluoromethyl sulfones (triflones) are efficiently obtained from easily available sodium trifluoromethanesulfinate (triflinate) and alkyl bromides in N,N-dimethylacetamide. This technique is more powerful than the potassium triflinate/acetonitrile system. Ethyl aconitate can be also produced in one step from ethyl bromoacetate and diisopropylethylamine, sodium triflinate being

  伯和仲三氟甲基砜（三氟甲磺酸酯）是从容易获得的三氟甲亚磺酸钠（三氟甲磺酸酯）和烷基溴化物在N，N-二甲基乙酰胺中高效获得的。该技术比三氟甲磺酸钾/乙腈系统更强大。乌头酸乙酯也可以由溴乙酸乙酯和二异丙基乙胺一步生产，三氟甲酸钠是催化剂。
• Combined Effect of Palladium Catalyst and the Alcohol to Promote the Uncommon Bis‐Alkoxycarbonylation of Allylic Substrates
  作者：Diego Olivieri、Riccardo Tarroni、Nicola Della Ca'、Raffaella Mancuso、Bartolo Gabriele、Gilberto Spadoni、Carla Carfagna

  DOI：10.1002/cctc.202101923

  日期：2022.3.22

  access to useful 2-substituted succinates was achieved starting from various allyl derivatives, including allyl carbonates, under mild conditions. The selectivity of this Pd-catalyzed oxidative Bis-Alkoxycarbonylation is governed by the combined effect of the ligand (anthryl α-diimine) and the nucleophile (benzyl alcohol). Mechanistic insights, based on DFT calculations, were proposed.

  在温和条件下，从各种烯丙基衍生物（包括碳酸烯丙酯）开始，可以轻松、意外地获得有用的 2-取代琥珀酸酯。这种 Pd 催化的氧化双烷氧基羰基化的选择性受配体（蒽基 α-二亚胺）和亲核试剂（苯甲醇）的联合作用控制。提出了基于 DFT 计算的机械见解。
• Hydrogenation of citric acid
  申请人：BASF Aktiengesellschaft

  公开号：US05391771A1

  公开（公告）日：1995-02-21

  A process for the preparation of propane-1,2,3-tricarboxylic acid, tetrahydrofurfurylacetic acid and the C.sub.1 - to C.sub.20 -alkyl or C.sub.7 - to C.sub.12 -aralkyl esters thereof, propane-1,2,3-trimethanol, 3-methyltetrahydrofuran, 3-(2'-hydroxyethyl)tetrahydrofuran, 4-hydroxymethyltetrahydropyran, 2-methyl-.gamma.-butyrolactone and/or 3-methyl-.gamma.-butyrolactone, comprises reacting citric acid or the C.sub.1 - to C.sub.20 -alkyl or C.sub.7 - to C.sub.12 -aralkyl esters thereof on hydrogenation catalysts in non-aqueous solvents at from 50.degree. to 400.degree. C. and at from 1 to 400 bar.

  一种制备丙烷-1,2,3-三羧酸、四氢呋喃乙酸及其C.sub.1-C.sub.20烷基或C.sub.7-C.sub.12芳基烷基酯、丙烷-1,2,3-三甲醇、3-甲基四氢呋喃、3-(2'-羟乙基)四氢呋喃、4-羟甲基四氢吡喃、2-甲基-γ-丁内酯和/或3-甲基-γ-丁内酯的方法，包括在非水溶剂中在50℃至400℃和1至400巴下在氢化催化剂上反应柠檬酸或其C.sub.1-C.sub.20烷基或C.sub.7-C.sub.12芳基烷基酯。
• PHOTOACTIVABLE NITROGEN BASES
  申请人：Dietliker Kurt

  公开号：US20100105794A1

  公开（公告）日：2010-04-29

  Compounds of the Formula (I), (II) and (III) wherein Ar is for example phenylene, biphenylene or naphthylene, all of which are unsubstituted or substituted by C 1 -C 4 -alkyl, C 2 -C 4 -alkenyl, CN, OR 11 , SR 11 , CH2OR 11 , COOR 12 , CONR 12 R 13 or halogen; R 1 , R 2 , R 7 and R 8 independently of one another other are hydrogen or C 1 -C 6 -alkyl; R 3 and R 5 together and R 4 and R 6 together form a C 2 -C 6 -alkylene bridge which is unsubstituted or substituted by one or more C 1 -C 4 -alkyl; R 11 is hydrogen or C 1 -C 6 -alkyl; R 12 and R 13 independently of one another for example are hydrogen, phenyl, C 1 -C 18 -alkyl, C 1 -C 18 -alkyl which is interrupted by one or more O; n is 1-10; X is O, S or NR 10 ; A and A 1 are suitable linking groups; are suitable as photolatent bases.

  公式(I)、(II)和(III)的化合物，其中Ar可以是苯基、联苯基或萘基，它们都可以是未取代或被C1-C4烷基、C2-C4烯基、CN、OR11、SR11、CH2OR11、COOR12、CONR12R13或卤素取代的；R1、R2、R7和R8独立地是氢或C1-C6烷基；R3和R5在一起，R4和R6在一起形成一个未取代或被一个或多个C1-C4烷基取代的C2-C6烷基桥；R11是氢或C1-C6烷基；R12和R13独立地可以是氢、苯基、C1-C18烷基、被一个或多个O中断的C1-C18烷基；n为1-10；X为O、S或NR10；A和A1是适当的连接基团；它们适用于光致潜基。