di-tert-butyl ethylmalonate

• 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: di-tert-butyl ethylmalonate
• 英文别名: ditert-butyl 2-ethylpropanedioate
• 化学式: C₁₃H₂₄O₄
• 分子量: 244.331
• InChiKey: WFALCSMFRJIZOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  di-tert-butyl ethylmalonate 在 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 mineral oil 为溶剂， 生成 Ditert-butyl 2-ethyl-2-(2-hydroxyethyl)propanedioate
  参考文献：
  名称：

  Enantioselective Desymmetrization of Diesters

  摘要：

  The desymmetrization of prochiral diesters with a chiral phosphoric acid catalyst to produce highly enantioenriched lactones in excellent yield is reported. The process is easily scaled and accommodates a variety of substitution patterns, many of which result in the generation of an enantioenriched all-carbon quaternary center. Manipulation of lactone product to useful small building blocks is also described.

  DOI：

  10.1021/jo402853v
• 作为产物：
  描述：

  di-tert-butyl cyclopropane-1,1-dicarboxylate 在 samarium diiodide 、 tris(dibenzoylmethano)iron(III) 、 叔丁醇 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以72%的产率得到di-tert-butyl ethylmalonate
  参考文献：
  名称：

  碘化可促进环丙烷-1,1-二羧酸酯的还原性开环反应。由羰基化合物和1,1-二羧酸二甲酯环丙烷合成取代的5-戊二醇

  摘要：

  在三（二苯甲酰基-甲碘基）铁（III）存在下，环碘-1,1-二羧酸二甲酯很容易与碘化sa（II）进行还原性开环反应。产生的有机sa中间体被脂族酮捕获，得到5，5-二取代的2-甲氧基羰基-5-戊醇化物。

  DOI：

  10.1016/0040-4039(94)80123-1

文献信息

• VLA-4 inhibitor compounds
  申请人：Daiichi Pharmaceutical Co., LTD.

  公开号：US20030078249A1

  公开（公告）日：2003-04-24

  Compounds that selectively inhibit the binding of ligands to &agr;4&bgr;1 integrin (VLA-4) and methods for their preparation are disclosed. In one embodiment, compounds of the invention are represented by Formula I: 1 As selective inhibitors of VLA-4 mediated cell adhesion, compounds of the present invention are useful in the treatment of conditions associated with such adhesion, including, but not limited to, such conditions as inflammatory and autoimmune responses, diabetes, asthma, psoriasis, inflammatory bowel disease, transplantation rejection, and tumor metastasis. Also disclosed are pharmaceutical compositions, methods of inhibiting VLA-4 mediated cell adhesion and methods of treating conditions associated with LA-4 mediated cell adhesion, which involve compounds of Formula I.

  本发明公开了选择性抑制配体与α4β1整合素（VLA-4）结合的化合物及其制备方法。在一个实施例中，本发明的化合物由式I表示： 1 作为VLA-4介导的细胞粘附的选择性抑制剂，本发明的化合物可用于治疗与该粘附相关的疾病，包括但不限于炎症和自身免疫反应、糖尿病、哮喘、银屑病、炎症性肠病、移植排斥和肿瘤转移。还公开了包含式I化合物的药物组合物、抑制VLA-4介导的细胞粘附的方法以及治疗与VLA-4介导的细胞粘附相关疾病的方法。
• Non-nucleoside reverse transcriptase inhibitors
  申请人：Roche Palo Alto LLC

  公开号：US20040198736A1

  公开（公告）日：2004-10-07

  This invention relates to novel pyridazinone derivatives of formula I wherein R 1 -R 4 , R 7 , R 8 and X 1 are as defined in the summary and pharmaceutically acceptable salts and solvates thereof, methods to inhibit or modulate Human Immunodeficiency Virus (HIV) reverse transcriptase with compounds of formula I, pharmaceutical compositions containing of formula I admixed with at least one solvent, carrier or excipient and processes to prepare compounds of formula I. The compounds are useful for treating disorders in which HIV and genetically related viruses are implicated 1

  这项发明涉及公式I的新型吡啶并酮衍生物，其中R1-R4、R7、R8和X1如摘要中所定义，并且其药学上可接受的盐和溶剂化合物，用公式I的化合物抑制或调节人类免疫缺陷病毒（HIV）逆转录酶的方法，含有公式I的药物组合物与至少一种溶剂、载体或赋形剂混合，并制备公式I的化合物的方法。这些化合物可用于治疗HIV和遗传相关病毒参与的疾病。
• QUATERNARY AMMONIUM SALT COMPOUND, COMPOSITION FOR FORMING A RESIST UNDER LAYER FILM, AND PATTERNING PROCESS
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20150357204A1

  公开（公告）日：2015-12-10

  A quaternary ammonium salt compound is represented by the following formula (A-1), wherein, R 1 , R 2 , and R 3 each represent an alkyl group, an alkenyl group, an aryl group, or an aralkyl group, a part or all of hydrogen atoms in these groups may be substituted by a hydroxyl group(s), an alkoxy group(s), or a halogen atom(s), and these groups may include one or more of a carbonyl group and an ester bond; R 4 represents a single bond, an alkylene group, an alkenylene group, an arylene group, or an aralkylene group, a part or all of hydrogen atoms in these groups may be substituted by an alkoxy group(s) or a halogen atom(s), and these groups may include one or more of an ether bond, a carbonyl group, an ester bond, and an amide bond; and A − represents a non-nucleophilic counter ion.

  一个四元铵盐化合物由以下式（A-1）表示，其中，R1、R2和R3分别代表烷基、烯基、芳基或芳基烷基，这些基团中的氢原子的一部分或全部可以被羟基、烷氧基或卤原子取代，这些基团中可能包括一个或多个羰基和酯键；R4代表一个单键、烷基、烯基、芳基或芳基烷基，这些基团中的氢原子的一部分或全部可以被烷氧基或卤原子取代，这些基团中可能包括一个或多个醚键、羰基、酯键和酰胺键；A−代表一个非亲核对离子。
• Bicyclic heteroaromatic compounds
  申请人：——

  公开号：US20030225113A1

  公开（公告）日：2003-12-04

  A bicyclic heteroaromatic compound according to general formula (I), or a pharmaceutically acceptable salt thereof, wherein R 1 is (3-8C)cycloalkyl, (2-7C)heterocycloalkyl, (6-14C)aryl or (4-13C)heteroaryl; all optionally substituted with one or more substituents; R 2 is (1-4C)alkyl, (2-4C)alkenyl, (2-4C)alkynyl, (6-14C)aryl or (4-13C)heteroaryl; R 3 is (1-8C)alkyl, (3-8C)cycloalkyl, (2-7C)heterocycloalkyl, (6-14C)aryl or (4-13C)heteroaryl; Y is CH or N; Z is NH 2 or OH; A is S, N(H), N(R), O or a bond and B is N(H), O or a bond; X1-X2 is C═C, C(O)—NH, NH—C(O), C(O)—O, O—C(O), C═N, N═C or S or O. The compounds of the invention can be used in fertility regulation therapies.

  根据通用式(I)，提供一个双环杂芳化合物，或其药学上可接受的盐，其中R1为(3-8C)环烷基，(2-7C)杂环烷基，(6-14C)芳基或(4-13C)杂芳基；均可选择地取代一个或多个取代基；R2为(1-4C)烷基，(2-4C)烯基，(2-4C)炔基，(6-14C)芳基或(4-13C)杂芳基；R3为(1-8C)烷基，(3-8C)环烷基，(2-7C)杂环烷基，(6-14C)芳基或(4-13C)杂芳基；Y为CH或N；Z为NH2或OH；A为S，N(H)，N(R)，O或一个键，B为N(H)，O或一个键；X1-X2为C═C，C(O)—NH，NH—C(O)，C(O)—O，O—C(O)，C═N，N═C或S或O。该发明的化合物可用于生育调节疗法。
• HETEROCYCLIC ANTIVIRAL COMPOUNDS
  申请人：Billedeau Roland Joseph

  公开号：US20090170856A1

  公开（公告）日：2009-07-02

  Compounds of formula I, wherein R 1 , R 2 , R 3 , X 1 , X 2 and Ar, are as defined herein or pharmaceutically acceptable salts thereof, inhibit HIV-1 reverse transcriptase and afford a method for prevention and treatment of HIV-1 infections and the treatment of AIDS and/or ARC. The present invention also relates to compositions containing compounds of formula I useful for the prevention and treatment of HIV- 1 infections and the treatment of AIDS and/or ARC.

  式I化合物，其中R1、R2、R3、X1、X2和Ar如本文所定义，或其药学上可接受的盐，抑制HIV-1逆转录酶，并提供预防和治疗HIV-1感染以及治疗艾滋病和/或艾滋病相关复合征（ARC）的方法。本发明还涉及含有式I化合物的组合物，这些组合物对于预防和治疗HIV-1感染以及治疗艾滋病和/或ARC是有用的。