2-ethyl-2-propylmalonic acid | 4440-07-7

• 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-ethyl-2-propylmalonic acid
• 英文别名: Ethylpropylmalonsaeure；ethyl-propyl-malonic acid；Aethyl-propyl-malonsaeure；2-ethyl-2-propylpropanedioic acid
• CAS: 4440-07-7
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: GDYPOKOVVJLYCE-UHFFFAOYSA-N

物化性质

• 熔点：
  138 °C
• 沸点：
  334.2±25.0 °C(Predicted)
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-ethyl-2-propylmalonic acid 生成 Alpha-乙基戊酸
  参考文献：
  名称：

  一种2-烷基-2-丙基丙二酸二酯的制备与水解方法

  摘要：

  本发明涉及式Ⅰ所示的2‑烷基‑2‑丙基丙二酸二酯的制备方法：其特征在于丙二酸二酯与1‑氯丙烷，在碱作用下，催化二丙基化制得式Ⅰ所示的2‑烷基‑2‑丙基丙二酸二酯：#imgabs0#R1，R2选自苄基、C1～C5直链烷基或C3～C5支链烷基；R1和R2相同或不同；R3选自甲基、乙基、丙基、丁基或异丙基。2‑烷基‑2‑丙基丙二酸二酯(Ⅰ)水解制得2‑烷基‑2‑丙基丙二酸(Ⅱ)；Ⅱ脱羧制得2‑烷基戊酸(Ⅲ)。Ⅱ经乙醇水溶液或甲醇水溶液重结晶得到二丙基丙二酸(Ⅱa)；Ⅱa脱羧制得丙戊酸，丙戊酸收率大于85.0％(以丙二酸二酯计)，含量大于99.85％(GC)。

  公开号：

  CN117430509A
• 作为产物：
  描述：

  propylmalonic acid diethyl ester; sodium salt 在 sodium hydroxide 作用下， 生成 2-ethyl-2-propylmalonic acid
  参考文献：
  名称：

  Rasetti, Bulletin de la Societe Chimique de France, 1905, vol. <3>33, p. 691

  摘要：

  DOI：

文献信息

• Pyrimidine A2b selective antagonist compounds, their synthesis and use
  申请人：——

  公开号：US20030162764A1

  公开（公告）日：2003-08-28

  The subject invention provides compounds having the structure: 1 wherein R 1 is substituted or unsubstituted phenyl or a 5-6 membered heterocyclic or heteroaromatic ring containing from 1 to 5 heteroatoms; R 2 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)—O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety; R 3 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)—O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 2 and R 3 are joined to form a heterocyclic ring; wherein the dashed line represents a second bond which may be present or absent, and when present R 3 is oxygen; R 4 and R 5 are each independently substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)—O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 4 NR 5 together form a substituted or unsubstituted monocyclic or bicyclic, heterocyclic or heteroaryl moiety containing from 1 to 6 heteroatoms; R 12 is hydrogen, alkyl, halogen or cyano; and n is 0, 1, 2, 3 or 4, or an enantiomer, or a specific tautomer, or a pharmaceutically acceptable salt thereof and a method for treating a disease associated with the A 2b adenosine receptor by administering a therapeutically effective amount of the compounds of the invention.

  本发明提供具有以下结构的化合物： 1 其中R 1 是取代或未取代的苯基或含1至5个杂原子的5-6元杂环或杂芳环；R 2 是氢，或取代或未取代的烷基，—C(O)-烷基，—C(O)—O-烷基，烷氧基，环烷基，烯丙基，单环或双环芳基，杂芳基或杂环部分；R 3 是氢，或取代或未取代的烷基，—C(O)-烷基，—C(O)—O-烷基，烷氧基，环烷基，烯丙基，单环或双环芳基，杂芳基或杂环部分，或者R 2 和R 3 连接形成一个杂环；其中虚线代表可能存在或不存在第二键，当存在时R 3 是氧；R 4 和R 5 各自独立地是取代或未取代的烷基，—C(O)-烷基，—C(O)—O-烷基，烷氧基，环烷基，烯丙基，单环或双环芳基，杂芳基或杂环部分，或者R 4 和R 5 共同形成一个含1至6个杂原子的取代或未取代的单环或双环杂环或杂芳基部分；R 12 是氢，烷基，卤素或腈；且n是0，1，2，3或4，或其对应的手性体，或特定的互变异构体，或其药物可接受的盐，以及通过给药治疗与A 2b 腺苷受体相关疾病的方法。
• Halogen substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135594A1

  公开（公告）日：2007-06-14

  A metallocene compound is represented by the formula (1): AMX n-1 wherein M is a transition metal atom having a coordination number of n selected from Group 3, 4, 5 or 6 of the Periodic Table of Elements, or a lanthanide metal atom, or actinide metal atom; A is a substituted monocyclic or polycyclic arenyl ligand pi-bonded to M, wherein said arenyl ligand includes at least one halogen substituent directly bonded to any sp 2 carbon atom at a bondable ring position of the ligand; and the or each X is a univalent anionic ligand, or two X are joined and bound to the metal atom to form a metallocycle ring, or two X are joined to form a chelating ligand, a diene ligand, or an alkylidene ligand.

  一种金属烯化合物可以用公式(1)表示： AMX n-1 其中，M是具有配位数n的过渡金属原子，选自元素周期表第3、4、5或6族，或为镧系金属原子，或锕系金属原子；A是与M以π键结合的取代的单环或多元环芳基配体，其中所述芳基配体包括至少一个直接键合到配体的可键合环位上的任意sp2碳原子上的卤素取代基；而X是单价阴离子配体，或者两个X连接并与金属原子结合形成一个金属环烯环，或者两个X连接形成一个螯合配体、二烯配体或烷基亚烯配体。
• [EN] IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS D'IMIDAZO[4,5-C]QUINOLÉINE ET LEURS UTILISATIONS
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2014141118A1

  公开（公告）日：2014-09-18

  The present invention relates to substituted imidazo[4,5-c]quinoline derivatives represented by the compounds formula (I), processes for their preparation, pharmaceutical compositions comprising said compounds and their use in the treatment of diseases or disorders mediated by one or more kinases (such as PI3 kinase, mTOR and ALK-1), particularly proliferative diseases or disorders such as cancer. The compounds of formula (I) can also be used in the treatment of inflammation, angiogenesis related disorders and bacterial infections.

  本发明涉及由化合物式(I)表示的取代咪唑并[4,5-c]喹啉衍生物，其制备方法，包含所述化合物的药物组合物以及它们在治疗由一个或多个激酶介导的疾病或紊乱（如PI3激酶、mTOR和ALK-1）中的用途，特别是增殖性疾病或紊乱，如癌症。化合物式(I)的化合物还可用于治疗炎症、血管生成相关紊乱和细菌感染。
• [EN] 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS<br/>[FR] 2-MORPHOLINOPYRIMIDINES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE KINASE PI3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009066084A1

  公开（公告）日：2009-05-28

  Morpholino pyrimidines of formula (I): wherein R1 is selected from -Y-R6 and -NR4R5; R2 is a N-containing monocyclic heteroaryl group which is selected from pyridyl, isoxazolyl, imidazolyl, pyrazolyl, pyrrolyl, thiazolyl, pyridazinyl, pyrimidinyl, pyrazinyl, oxazolyl, furanyl, thienyl, triazolyl and tetrazolyl and which is unsubstituted or substituted by halo, -CN, -NR10R11, -OR10, -C(O)R10, -NR10C(O)R11, - N(C(O)R11)2, -NR10C(O)NR10R11, -SO2R10R11, -SO2NR10R11, -C(=O)OR10, -C(=O)NR10R11, halo-C1 -C6 alkyl and unsubstituted C1-C12 alkyl; R3 is selected from H, C1-C6 alkyl and C1-C6 alkoxy; Y is selected from a direct bond, -(CR2)m-, C2-C6 alkenylene, C2-C6 alkynylene, -(CR2)p-O-(CR2) t-, -(CR2)p-NR-(CR2) t, -(CR2)p-NR-(CR2)n-C(O)-, -(CR2)p-NR-C(O)- (CR2)n-, -(CR2)p-C(O)-NR-(CR2) t, -(CR2)p-C(O)-(CR2)n-NR-(CR2)t,- and -(CR2)p- C(O)-(CR2)n-; R6 is selected from an unsaturated 5- to 12-membered carbocyclic or heterocyclic ring, a saturated 5-, 6- or 7- membered N-containing heterocyclic group which is unsubstituted or substituted, C1-C6 alkyl, -NR2, -OR, -NR(CO)R and - C(O)NR2; R4 and R5, which are the same or different, are both C1-C6 alkyl which is unsubstituted or substituted, or R4 and R5 together form, with the nitrogen atom to which they are attached, a saturated 5-, 6- or 7- membered N-containing heterocyclic group which is unsubstituted or substituted; each R, which are the same or different when more than one is present in a given group, is independently H, C1-C6 alkyl which is unsubstituted or substituted or a 5- to 12-membered aryl or heteroaryl group which is unsubstituted or substituted; R10 and R11, which are the same or different, are independently selected from H, C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl and C3-C8 cycloalkyl; n is 0 or an integer of 1 to 6; m is an integer of 1 to 6; p is 0 or an integer of 1 to 6; and t is 0 or an integer of 1 to 6, with the proviso that t is an integer of 2 to 6 when R6 is linked to Y through a constituent O or N atom of R6; and the pharmaceutically acceptable salts thereof, subject to various provisos, have activity as inhibitors of PI3K and may thus be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour, particularly that associated with PI3 kinase such as cancer, immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine disorders and neurological disorders. Processes for synthesizing the compounds are also described.

  式(I)的吗哥啉嘧啶，其中R1从-Y-R6和-NR4R5中选择；R2是一种含氮的单环杂环芳基，选择自吡啶基、异噁唑基、咪唑基、吡唑基、吡咯基、噻唑基、吡啶嗪基、嘧啶基、吡嗪基、噁唑基、呋喃基、噻吩基、三唑基和四唑基，未取代或取代为卤素、-CN、-NR10R11、-OR10、-C(O)R10、-NR10C(O)R11、-N(C(O)R11)2、-NR10C(O)NR10R11、-SO2R10R11、-SO2NR10R11、-C(=O)OR10、-C(=O)NR10R11、卤代-C1-C6烷基和未取代的C1-C12烷基；R3从H、C1-C6烷基和C1-C6烷氧基中选择；Y从直接键、-(CR2)m-、C2-C6烯基、C2-C6炔基、-(CR2)p-O-(CR2)t-、-(CR2)p-NR-(CR2)t、-(CR2)p-NR-(CR2)n-C(O)-、-(CR2)p-NR-C(O)-(CR2)n-、-(CR2)p-C(O)-NR-(CR2)t、-(CR2)p-C(O)-(CR2)n-NR-(CR2)t和-(CR2)p-C(O)-(CR2)n-中选择；R6从未饱和的5-至12成员碳环或杂环环中选择，饱和的5、6或7成员N含杂环基，未取代或取代，C1-C6烷基，-NR2，-OR，-NR(CO)R和-C(O)NR2中选择；R4和R5，相同或不同，均为未取代或取代的C1-C6烷基，或R4和R5与它们连接的氮原子形成未取代或取代的饱和的5、6或7成员N含杂环基；每个R，当在给定的基团中存在多个时，相同或不同，独立地为H，未取代或取代的C1-C6烷基或未取代或取代的5-至12成员芳基或杂环基；R10和R11，相同或不同，独立地选择自H，C1-C6烷基，C2-C6烯基，C2-C6炔基和C3-C8环烷基；n为0或1至6的整数；m为1至6的整数；p为0或1至6的整数；t为0或1至6的整数，但当R6通过R6的一个成分O或N原子与Y连接时，t为2至6的整数；以及其药学上可接受的盐，受各种规定限制，具有PI3K抑制剂的活性，因此可用于治疗由于异常细胞生长、功能或行为引起的疾病和紊乱，特别是与PI3激酶相关的癌症、免疫紊乱、心血管疾病、病毒感染、炎症、代谢/内分泌紊乱和神经系统紊乱。还描述了合成这些化合物的方法。
• METHOD FOR PREPARING QUATERNARY PHOSPHONIUM SALTS
  申请人：Microvast Power Systems Co.,Ltd.

  公开号：US20150166587A1

  公开（公告）日：2015-06-18

  A two-step pathway for preparing high pure quaternary phosphonium salts is disclosed. In the first step, hydrogen phosphide (PH 3 ) or a higher phophine reacts with a protonic compound to produce a phosphonium salt, which then reacts with a carbonic acid diester to produce a quaternary phosphonium salt in the second step. On one hand, hydrogen phosphide (PH 3 ) and higher phophines, including primary phosphines, secondary phosphines, and tertiary phosphines, after neutralization with protonic compound, become sufficiently reactive and can be alkylated by carbonic acid diester to form quaternary phosphonium cations. On the other hand, as an anion-exchange procedure is completely avoided, the process not only gives quaternary phosphonium salts of high purity, but also gives people freedom to design the cation and the anion of a quaternary phosphonium salt synchronously by choosing a preferred phosphine and a protonic compound that can supply a desired anion.

  揭示了一种制备高纯度四元磷铵盐的两步途径。在第一步中，氢磷化物（PH3）或更高的磷化物与质子化合物发生反应，产生磷铵盐，然后在第二步中与碳酸二酯发生反应，产生四元磷铵盐。一方面，氢磷化物（PH3）和更高的磷化物，包括一次磷化物、二次磷化物和三次磷化物，在与质子化合物中和后变得足够活性，可以被碳酸二酯烷基化形成四元磷铵阳离子。另一方面，由于完全避免了阴离子交换程序，该过程不仅提供高纯度的四元磷铵盐，还使人们可以通过选择理想的磷化物和可以提供所需阴离子的质子化合物，同时设计四元磷铵盐的阳离子和阴离子。