2-chloro-decanoic acid | 33422-30-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-chloro-decanoic acid
• 英文别名: 2-Chlor-decansaeure；2-Chlorodecanoic acid
• CAS: 33422-30-9
• 化学式: C₁₀H₁₉ClO₂
• 分子量: 206.713
• InChiKey: SHNUMBLTYZKYIP-UHFFFAOYSA-N

物化性质

• 熔点：
  23-25 °C
• 沸点：
  165 °C(Press: 10 Torr)
• 密度：
  1.013 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙醇 、 2-chloro-decanoic acid 在 mineral acid 作用下， 生成 ethyl 2-chloro decanoate
  参考文献：
  名称：

  Horn et al., Journal of the Chemical Society, 1950, p. 2900

  摘要：

  DOI：
• 作为产物：
  描述：

  2-辛基丙二酸 在 磺酰氯 、 乙醚 作用下， 生成 2-chloro-decanoic acid
  参考文献：
  名称：

  Horn et al., Journal of the Chemical Society, 1950, p. 2900

  摘要：

  DOI：

文献信息

• [EN] ALKOXYCARBONYLATION OF VYNIL ESTERS<br/>[FR] ALCOXYCARBONYLATION D'ESTERS VINYLIQUES
  申请人：LUCITE INT UK LTD

  公开号：WO2005118519A1

  公开（公告）日：2005-12-15

  A process for the alkoxycarbonylation of a vinyl ester comprising reacting a vinyl ester with carbon monoxide in the presence of an alkanol and a catalyst system. The catalyst system used in the said process is obtainable by combining: a) a metal of Group VIII B or a compound thereof, and b) a bidentate ligand of general formula (I) wherein, R is a covalent bridging group; R1 together with Q2 to which it is attached form an optionally substituted 2-Q2-tricyclo[3.3.1.1 3,7}]decyl group or derivative thereof(2-PA); R2 and R3 independently represent univalent radicals upto 20 atoms or jointly form a bivalent radical of up to 20 atoms; and Q1 and Q2 each independently represent phosphorous, arsenic or antimony. The process is carried out for the production of a 3-hydroxy propanoate ester or acid of formula (II) CH2 (OH)CH2 C(O) OR28. The process may also be carried out for the production of a lactate ester or acid of formula (III).

  一种用于烯丙酸酯的烷氧羰基化的方法，包括在存在一种烷醇和一个催化剂体系的情况下，将烯丙酸酯与一氧化碳反应。所述方法中使用的催化剂体系可通过组合以下物质获得：a) VIII B族金属或其化合物，以及b) 一种一般式(I)的双齿配体，其中，R是一个共价桥接基团；R1与其连接的Q2共同形成一个可选择地取代的2-Q2-三环[3.3.1.1 3,7}]癸基团或其衍生物(2-PA)；R2和R3独立地代表最多20个原子的一价基团，或共同形成最多20个原子的二价基团；Q1和Q2各自独立地代表磷、砷或锑。该方法用于生产式(II) CH2 (OH)CH2 C(O) OR28的3-羟基丙酸酯或酸。该方法也可用于生产式(III)的乳酸酯或酸。
• PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS
  申请人：Eastham Graham Ronald

  公开号：US20120330016A1

  公开（公告）日：2012-12-27

  A novel bidentate ligand of general formula (I) is described together with a process for the carbonylation of ethylenically unsaturated compounds. The group X 1 may be defined as a univalent hydrocarbyl radical of up to 30 atoms containing at least one nitrogen atom having a pKb in dilute aqueous solution at 18° C. of between 4 and 14 wherein the said at least one nitrogen atom is separated from the Q 2 atom by between 1 and 3 carbon atoms. The group X 2 is defined as X 1 , X 3 or X 4 or represents a univalent radical of up to 30 atoms having at least one primary, secondary or aromatic ring carbon atom wherein each said univalent radical is joined via said at least one primary, secondary or aromatic ring carbon atom(s) respectively to the respective atom Q 2 . Q 1 and Q 2 each independently represent phosphorus, arsenic or antimony.

  通用公式（I）的一种新的双齿配体及其用于乙烯基不饱和化合物羰基化的方法被描述。基团X1可以被定义为一个最多含有30个原子的一价烃基基团，其中至少含有一个氮原子，在18°C时在稀溶液中的pKb值在4和14之间，其中所述至少一个氮原子与Q2原子之间由1至3个碳原子分隔。基团X2被定义为X1、X3或X4，或者代表一个最多含有30个原子的一价基团，其中至少含有一个主要、次要或芳香环碳原子，其中每个所述一价基团分别通过所述至少一个主要、次要或芳香环碳原子连接到相应的Q2原子。Q1和Q2各自独立地代表磷、砷或锑。
• [EN] PROCESS FOR THE PRODUCTION OF TETRAAMINOBIPHENOL MACROCYCLIC LIGANDS; AND NOVEL TETRAAMINOBIPHENOL MACROCYCLIC LIGANDS<br/>[FR] PROCÉDÉ DE PRODUCTION DE LIGANDS MACROCYCLIQUES DE TÉTRAAMINOBIPHÉNOLE ; ET NOUVEAUX LIGANDS MACROCYCLIQUES DE TÉTRAAMINOBIPHÉNOLE
  申请人：ECONIC TECH LTD

  公开号：WO2018158592A1

  公开（公告）日：2018-09-07

  A process for preparing a tetra-substituted aminobiphenol macrocyclic ligand having the structure (I), comprising the step of treating a precursor compound having the structure (II) with a compound having the structure R6-L where L represents a leaving group (hereinafter compound (III)) in the presence of a base; wherein R1 and R2 are independently selected from hydrogen, halide, a nitro group, a nitrile group, an imine group, -NCR13R14, an amine, an ether group -OR1 5 or -R16OR17, an ester group -OC(O)R10 or - C(O)OR10, an amido group -NR9C(0)R9 or -C(0)-NR9(R9), -COOH, -C(0)R15, -OP(0)(OR18)(OR19),- P(O)R2 0R21, a silyl group, a silyl ether group, a sulfoxide group, a sulfonyl group, a sulfinate group or an acetylide group or an optionally substituted alkyl, alkenyl, alkynyl, haloalkyl, aryl, heteroaryl, alkoxy, aryloxy, alkylthio, arylthio, alicyclic or heteroalicyclic group; R3 is independently selected from optionally substituted alkylene, alkenylene, alkynylene, heteroalkylene, heteroalkenylene, heteroalkynylene, arylene, heteroarylene or cycloalkylene, wherein alkylene, alkenylene, alkynylene, heteroalkylene, heteroalkenylene and heteroalkynylene, in each case optionally interrupted by aryl, heteroaryl, alicyclic or heteroalicyclic; R4 is independently selected from hydrogen, or optionally substituted aliphatic, heteroaliphatic, alicyclic, heteroalicyclic, aryl, heteroaryl, alkylheteroaryl or alkylaryl; R5 is independently selected from hydrogen, optionally substituted aliphatic, heteroaliphatic, alicyclic, alkanoate, arylate, carboxyl, heteroalicyclic, aryl, heteroaryl, alkylheteroaryl or alkylaryl, or two R5 species may together be selected from optionally substituted alkylene, alkenylene or alkynylene, bonded to two different N groups of the compound of structure (II), with the proviso that at least one of the species R5 is hydrogen; and E is independently selected from NR5 and NR6, with the proviso that at least one of the species E is NR6; wherein R6 is independently selected from optionally substituted aliphatic, alicyclic, heteroalicyclic, aryl, heteroaryl, ether, polyether, or optionally substituted alkylaryl or alkylheteroaryl; wherein R9, R10, R13, R14, R18, R19, R20 and R21 are independently selected from hydrogen or an optionally substituted aliphatic, heteroaliphatic, alicyclic, heteroalicyclic, aryl or heteroaryl group and R15, R16 and R17 are independently selected from an optionally substituted aliphatic, heteroaliphatic, alicyclic, heteroalicyclic, aryl or heteroaryl group; and wherein the molar ratio of compound (III) to the number of NH sites in the compound of structure (II) is at least 0.6. In embodiments of the invention the molar ratio of compound (III) to species R5 which are hydrogen in compound (II) is at least 1. Surprisingly, it has been determined that N-alkylation of the compound of structure (II) takes place efficiently despite the presence of phenol groups would be expected to be sites for O-alkylation. Also described are certain novel ligands having asymmetrical R5 and R6 groups.

  一种制备具有结构（I）的四取代氨基联苯环状配体的方法，包括以下步骤：在碱的存在下，用具有结构（II）的前体化合物与具有结构R6-L的化合物（以下简称化合物（III））反应；其中R1和R2分别选择自氢、卤素、硝基、腈基、亚胺基、-NCR13R14、胺基、醚基-OR15或-R16OR17、酯基-OC(O)R10或-C(O)OR10、酰胺基-NR9C(0)R9或-C(0)-NR9(R9)、-COOH、-C(0)R15、-OP(0)(OR18)(OR19)、-P(O)R20R21、硅基、硅醚基、亚砜基、磺酰基、磺酸盐基或乙炔基或可选择取代的烷基、烯基、炔基、卤代烷基、芳基、杂环芳基、烷氧基、芳氧基、烷硫基、芳硫基、脂环或杂环脂基；R3从可选择取代的烷基、烯基、炔基、杂烷基、杂烯基、杂炔基、芳基、杂芳基或环烷基中独立选择，其中烷基、烯基、炔基、杂烷基、杂烯基和杂炔基，每种情况下可由芳基、杂芳基、脂环或杂环脂中断；R4从氢或可选择取代的脂肪、杂脂肪、脂环、杂环脂、芳基、杂芳基、烷基杂芳基或烷基芳基中独立选择；R5从氢、可选择取代的脂肪、杂脂肪、脂环、烷酸酯、芳酸酯、羧基、杂环脂、芳基、杂芳基、烷基杂芳基或烷基芳基中独立选择，或两个R5物种可以共同选择自可选择取代的烷基、烯基或炔基，与结构（II）化合物的两个不同N基团结合，条件是至少有一个R5物种是氢；E从NR5和NR6中独立选择，条件是至少有一个E物种是NR6；其中R6从可选择取代的脂肪、脂环、杂环脂、芳基、杂芳基、醚、聚醚或可选择取代的烷基芳基或烷基杂芳基中独立选择；其中R9、R10、R13、R14、R18、R19、R20和R21从氢或可选择取代的脂肪、杂脂肪、脂环、杂环脂、芳基或杂芳基中独立选择，R15、R16和R17从可选择取代的脂肪、杂脂肪、脂环、杂环脂、芳基或杂芳基中独立选择；化合物（III）与结构（II）化合物中NH位点的摩尔比至少为0.6。在发明实施例中，化合物（III）与结构（II）中为氢的R5物种的摩尔比至少为1。令人惊讶的是，尽管苯酚基被认为是O-烷基化的位置，但已确定结构（II）化合物的N-烷基化有效进行。还描述了具有不对称R5和R6基团的某些新型配体。
• The acylphosphonate function as an activating and masking moiety for the α-chlorination of fatty acids
  作者：Christian Stevens、Laurent De Buyck、Norbert De Kimpe

  DOI：10.1016/s0040-4039(98)01939-x

  日期：1998.11

  α-Chloroacylphosphonates were prepared in situ by chlorination of acylphosphonates using sulfuryl chloride and were subsequently cleaved to the corresponding α-chlorinated fatty acids with hydrogen peroxide - sodium bicarbonate.

  通过使用硫酰氯氯化酰基膦酸酯原位制备α-氯酰基膦酸酯，随后将其用过氧化氢-碳酸氢钠裂解为相应的α-氯化脂肪酸。
• [EN] PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS<br/>[FR] PROCÉDÉ DE CARBONYLATION DE COMPOSÉS À INSATURATION ÉTHYLÉNIQUE, NOUVEAUX LIGANDS DE CARBONYLATION, ET SYSTÈMES CATALYSEURS COMPRENANT CES LIGANDS
  申请人：LUCITE INT UK LTD

  公开号：WO2010001174A1

  公开（公告）日：2010-01-07

  A novel bidentate catalytic ligand of general formula (I) is described. R represents a hydrocarbyl aromatic structure having at least one aromatic ring to which Q 1 and Q 2 are each linked, via the respective linking group, if present, on available adjacent atoms of the at least one aromatic ring. The groups X 3 and X 4 represent radicals joined via tertiary carbon atoms to the respective atom Q 1 and the groups X 1 and X 2 represent radicals joined via primary, or substituted aromatic ring carbon atom(s) to the respective atom Q 2. A and B represent an optional lower alkylene linking group. Q 1 and Q 2 each represent phosphorus, arsenic or antimony. A process for the carbonylation of ethylenically unsaturated compounds comprising reacting the compound with carbon monoxide in the presence of a source of hydroxyl groups, optionally, a source of anions and catalyst system obtainable by combining a metal of Group 8, 9 or 10 or a compound thereof and the bidentate ligand of general formula (I) is also described.

  描述了一种一般式(I)的新型双齿催化配体。其中，R代表至少具有一个芳香环的烃基芳香结构，其中Q1和Q2分别通过至少一个芳香环上可用的相邻原子的相应连接基（如果存在）连接。基团X3和X4代表通过第三级碳原子连接到相应原子Q1的基团，基团X1和X2代表通过主要或取代的芳香环碳原子连接到相应原子Q2的基团。A和B代表可选的较低烷基连接基。Q1和Q2分别代表磷、砷或锑。还描述了一种用于乙烯基不饱和化合物的羰基化的方法，包括将该化合物与一氧化碳在羟基源的存在下反应，可选地，与阴离子源和由结合第8、9或10族金属或其化合物以及一般式(I)的双齿配体的催化系统获得的催化剂。