2-carbethoxy-3-(dimethylamino)acrolein

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-carbethoxy-3-(dimethylamino)acrolein
• 英文别名: α-ethoxycarbonyl-β-dimethylaminoacrolein；ethyl 3-N,N-dimethylamino-2-formylacrylate；Ethyl 3-(dimethylamino)-2-formylacrylate；ethyl (E)-3-(dimethylamino)-2-formylprop-2-enoate
• 化学式: C₈H₁₃NO₃
• 分子量: 171.196
• InChiKey: BWSIQAALZBOBQJ-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  纳曲酮 、 2-carbethoxy-3-(dimethylamino)acrolein 在 乙酸铵 、 溶剂黄146 作用下， 生成 5'-carbethoxy-17-(cyclopropylmethyl)-6,7-didehydro-3,14-dihydroxy-4,5α-epoxypyrido[2',3':6,7]morphinan
  参考文献：
  名称：

  Synthesis, opioid receptor binding, and functional activity of 5′-substituted 17-cyclopropylmethylpyrido[2′,3′:6,7]morphinans

  摘要：

  A series of naltrexone-derived pyridomorphinans possessing various substituents at the 5'-position on the pyridine ring were synthesized and evaluated for opioid receptor binding in rodent brain membranes and functional activity in smooth muscle preparations. While the introduction of aromatic I-pyrrolyl group (6h) improved the 8 affinity and 6 antagonist potency of the parent compound (3), the introduction of guanidine group (6i) transformed it to a K selective ligand in opioid receptor binding and [S-35]GTP-gamma-S functional assays. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00934-4
• 作为产物：
  描述：

  1,1-二氯乙烷 、 3,3-二乙氧基丙酸乙酯 在 potassium carbonate 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-carbethoxy-3-(dimethylamino)acrolein
  参考文献：
  名称：

  Pyrimidine compound and liquid crystal composition and liquid crystal

  摘要：

  一种新型嘧啶化合物，由以下化学式（1）和（2）表示，液晶组合物中含有该化合物，以及具有优异特性如高速响应、取向和高对比度的液晶元件。其中，R.sub.1和R.sub.2各代表线性或支链烷基或烯基基团，烷氧基或烯氧基；R.sub.3和R.sub.4各代表线性或支链烷基或烯基基团；A.sub.1和A.sub.2各代表取代或未取代的1,4-苯基基团，吡啶-2,5-二基或反-1,4-环己基基团；X.sub.1和X.sub.2各代表单键，-COO-，-OCO-，-OCH.sub.2或-CH.sub.2O-基团；Y.sub.1和Y.sub.2各代表-COO-或-OCO-基团；a，b，p，q，m和n各代表0或1，但要求a+b+p+q不等于0。

  公开号：

  US05770108A1

文献信息

• Pyridomorphinans, thienomorphinans and use thereof
  申请人：Ananthan Subramaniam

  公开号：US20060047119A1

  公开（公告）日：2006-03-02

  Compounds represented by the formulae: wherein each of Y, X and R individually is selected from the group consisting of hydrogen, hydroxy, halo, CF 3 , NO 2 , CN, NH 2 , COR 1 and CO 2 R 2 wherein R 1 is selected from the group consisting of alkyl, aryl, alkaryl, and NH 2 , and R 2 is selected from the group consisting of alkyl, aryl and aralkyl, and provided that at least one of Y, X and R is other than H; and pharmaceutically acceptable salts thereof are provided. Compounds of the above formula are useful as analgesics for treating pain, as immunomodulators and for treating drug abuse.

  公式表示的化合物：其中Y、X和R中的每一个分别选自氢、羟基、卤素、三氟甲基、硝基、氰基、氨基、COR1和CO2R2组成的群体中，其中R1选自烷基、芳基、烷芳基和NH2组成的群体中，R2选自烷基、芳基和芳基烷基组成的群体中，并且至少有一个Y、X或R不是氢；以及其药学上可接受的盐。上述公式的化合物可用作镇痛剂治疗疼痛，作为免疫调节剂以及治疗药物滥用。
• Pyrimidine carboxamides and related compounds and methods for treating
  申请人：Signal Pharmaceuticals, Inc.

  公开号：US05811428A1

  公开（公告）日：1998-09-22

  Compounds having utility as antinflammatory agents in general and, more specifically, for the prevention and/or treatment of immunoinflammatory and autoimmune diseases are disclosed. The compounds are pyrimidine- or pyrazine-containing compounds and, in one embodiment, are carboxyamides of the same. Methods are also disclosed for preventing and/or treating inflammatory conditions by administering to an animal in need thereof an effective amount of a compound of this invention, preferably in the form of a pharmaceutical composition.

  本发明揭示了一种作为抗炎剂的化合物，特别是用于预防和/或治疗免疫炎症和自身免疫性疾病的化合物。这些化合物是含嘧啶或吡嗪的化合物，在一种实施方式中，它们是相同的羧酰胺。还揭示了通过向需要的动物施用本发明化合物的有效量，特别是以药物组成物的形式，预防和/或治疗炎症状况的方法。
• Dpp-IV Inhibitors
  申请人：Edwards John Paul

  公开号：US20070265261A1

  公开（公告）日：2007-11-15

  The invention relates to compounds of formula (1) wherein Z, R 1-3 and A have the meaning as cited in the description and the claims. Said compounds are useful as DPP-IV inhibitors. The invention also relates to the preparation of such compounds as well as the production and use thereof as medicament.

  本发明涉及式（1）的化合物，其中Z，R1-3和A的含义如所述及权利要求中所述。所述化合物可用作DPP-IV抑制剂。本发明还涉及制备这些化合物以及将其作为药物的生产和使用。
• LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND
  申请人：IDEMITSU KOSAN COMPANY LIMITED

  公开号：EP0493601A1

  公开（公告）日：1992-07-08

  A liquid-crystal copolymer developing ferro-electricity near room temperature and rapidly responding to a change in outer electric field, which comprises repeating units of general formulae (I) and (II) in a molar ratio of around 1:1, wherein r and p each represents an integer of 2 to 5; q represents an integer of 0 to 3; m represents an integer of 1 to 20; R¹ represents (a); R² represents -COOR³, -OR³ or -OCOR³; R³ represents (b); R⁴ and R⁵ each represents - CH₃ or halogen; a and d each represents an integer of 0 to 10; and b is 0 or 1, provided that d is not 0 when R⁵ represents - CH₃.

  一种液晶共聚物，可在室温附近产生铁电性并对外部电场的变化迅速作出反应，它由通式(I)和(II)的重复单元组成，摩尔比约为1：其中 r 和 p 分别代表 2 至 5 的整数；q 代表 0 至 3 的整数；m 代表 1 至 20 的整数；R¹ 代表 (a)；R² 代表 -COOR³、-OR³ 或 -OCOR³；R³ 代表 (b)；R⁴ 和 R⁵ 各自代表-CH₃ 或卤素；a 和 d 各自代表 0 至 10 的整数；b 为 0 或 1，但当 R⁵ 代表-CH₃ 时，d 不为 0。
• Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same
  申请人：MITSUI TOATSU CHEMICALS, INCORPORATED

  公开号：EP0751133A1

  公开（公告）日：1997-01-02

  The present invention relates to a novel pyrimidine compound represented by the following Formulas (1) and (2). These compounds are useful as components for liquid crystal compositions, and a liquid crystal composition containing the compound of the present invention provides a liquid crystal element having excellent characteristics such as high speed response, orientation and high contrast ratio. wherein R1 and R2 each represent a linear or branched alkyl group, alkoxyl group having 1 to 24 carbon atoms, or a linear or branched alkenyl group or alkenyloxy group having 2 to 24 carbon atoms each of which may be substituted; R3 and R4 each represent a linear or branched alkyl group or alkenyl group having 3 to 24 carbon atoms each of which may be substituted; A1 and A2 each represent a substituted or unsubstituted 1,4-phenylene group, a pyridine-2,5-diyl group or a trans-1,4-cyclohexylene group; X1 and X2 each represent a single bond, a -COO- group, a -OCO- group, a -OCH2- group or a -CH2O- group; Y1 and Y2 each represent a -COO- group or a -OCO- group; and a, b, p, q, m and n each represent 0 or 1, provided that a + b + p + q is not 0.

  本发明涉及由以下式子（1）和（2）代表的新型嘧啶化合物。这些化合物可用作液晶组合物的成分，含有本发明化合物的液晶组合物可提供具有高速响应、定向和高对比度等优异特性的液晶元件。 其中 R1 和 R2 分别代表具有 1 至 24 个碳原子的直链或支链烷基、烷氧基或具有 2 至 24 个碳原子的直链或支链烯基或烯氧基，其中每个基团都可以被取代；R3 和 R4 分别代表具有 3 至 24 个碳原子的直链或支链烷基或烯基，其中每个基团都可以被取代；A1和A2各自代表取代或未取代的1,4-亚苯基、吡啶-2,5-二基或反式-1,4-环己烯基； X1和X2各自代表单键、-COO-基团、-OCO-基团、-OCH2-基团或-CH2O-基团；Y1和Y2各自代表一个-COO-基团或一个-OCO-基团；以及a、b、p、q、m和n各自代表0或1，条件是a + b + p + q不为0。