N,N'-dipropylcarbodiimide | 821-79-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-dipropylcarbodiimide
• 英文别名: N,N'-di-n-propylcarbodiimide；di-n-propylcarbodiimide；dipropyl-carbodiimide；Dipropyl-carbodiimid；Kohlensaeure-bis-propylimid；Carbobispropylimid；Dipropyl carbodiimide
• CAS: 821-79-4
• 化学式: C₇H₁₄N₂
• 分子量: 126.202
• InChiKey: MALMHIVBMJBNGS-UHFFFAOYSA-N

物化性质

• 沸点：
  53 °C(Press: 10 Torr)
• 密度：
  0.82±0.1 g/cm3(Predicted)
• 保留指数：
  978

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-dipropylcarbodiimide 在 盐酸 作用下， 生成 1,3-二丙基脲
  参考文献：
  名称：

  Lecher et al., Justus Liebigs Annalen der Chemie, 1925, vol. 445, p. 56

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N'-二-n-丙基硫脲 在 mercury(II) oxide 作用下， 以 苯 为溶剂， 反应 6.0h， 以32%的产率得到N,N'-dipropylcarbodiimide
  参考文献：
  名称：

  A new mechanism involving cyclic tautomers for the reaction with nucleophiles of the water-soluble peptide coupling reagent 1-ethyl-3-(3'-(dimethylamino)propyl)carbodiimide (EDC)

  摘要：

  DOI：

  10.1021/ja00414a011
• 作为试剂：
  描述：

  吗啉 、 在 N,N'-dipropylcarbodiimide 、 1-羟基苯并三唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.17h， 生成
  参考文献：
  名称：

  [EN] STEROIDAL [3, 2-C] PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY
  [FR] COMPOSÉS [3, 2-C] PYRAZOLE STÉROÏDES À ACTIVITÉ GLUCOCORTICOÏDE

  摘要：

  本发明提供了式（I）的化合物，其中n、p、R1、R2、X1、X2、X3、X4、X5、R3a、R3b、R4、R5和R6的定义如规范中所述，以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的应用。

  公开号：

  WO2009044200A1

文献信息

• MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS
  申请人：Zhao Guohua

  公开号：US20070185097A1

  公开（公告）日：2007-08-09

  The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula I wherein R 1a , R 1b , R 1c , Q, A, R 3 , W, D and R 2 are defined herein. Additionally, the present application provides pharmaceutical compositions containing at least one compound according to Formula I and optionally at least one additional therapeutic agent. Finally, the present application provides methods for treating a patient suffering from an MCHR-1 modulated disease or disorder such as, for example, obesity, diabetes, depression or anxiety by administration of a therapeutically effective dose of a compound according to Formula I.

  当前申请提供了根据公式I的化合物，包括所有立体异构体、溶剂化物、前药和药用可接受形式，其中R1a、R1b、R1c、Q、A、R3、W、D和R2按本文件定义。此外，当前申请还提供了含有至少一种根据公式I的化合物的药物组合物，以及可选的至少一种额外的治疗剂。最后，当前申请提供了通过给予根据公式I的化合物的治疗有效剂量，治疗患有MCHR-1调控疾病或失调的患者的方法，例如肥胖、糖尿病、抑郁症或焦虑症。
• BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20160340374A1

  公开（公告）日：2016-11-24

  An object of the present invention is to provide a compound which is capable of attaining a composition having high storage stability without reacting with a base-reactive compound, even in the case of storage for a long period of time in a mixed state with the base-reactive compound, such as an epoxy-based compound, as well as capable of generating a strong base (guanidines, biguanides, phosphazenes or phosphoniums) by irradiation of light (active energy rays) or heating; a base generator comprising the compound; and a base-reactive composition comprising the base generator and the base-reactive compound. The present invention relates to the compound represented by the general formula (A); the base generator comprising the compound; and the base-reactive composition comprising the base generator and the base-reactive compound. (wherein R 1 represents an alkyl group; an arylalkynyl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; an alkenyl group; a 2-furylethynyl group; a 2-thiophenylethynyl group; or a 2,6-dithianyl group; R 2 to R 4 each independently represent an alkyl group; an arylalkynyl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; the aryl group which may be substituted with a halogen atom, an alkyl group, an alkoxy group, or an alkylthio group; a furanyl group; a thienyl group; or an N-alkyl-substituted pyrrolyl group; Z + represents an ammonium cation having a guanidinium group, a biguanidium group or a phosphazenium group, or a phosphonium cation.)

  本发明的目的是提供一种化合物，能够在与碱反应性化合物混合状态长时间存储的情况下，仍能获得具有高储存稳定性的组合物，而不与碱反应性化合物发生反应，同时还能通过光照（活性能量射线）或加热产生强碱（胍胺、双胍胺、磷氮烷或磷銨）；包括该化合物的碱发生器；以及包括该碱发生器和碱反应性化合物的碱反应性组合物。本发明涉及由通式（A）表示的化合物；包括该化合物的碱发生器；以及包括该碱发生器和碱反应性化合物的碱反应性组合物。（其中R1代表烷基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基炔基；烯基；2-呋喃基炔基；2-噻吩基炔基；或2,6-二硫基基；R2到R4各自独立地代表烷基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基炔基；可能被卤素原子、烷基、烷氧基或烷硫基取代的芳基；呋喃基；噻吩基；或N-烷基取代的吡咯基；Z+代表具有胍胺基团、双胍胺基团或磷氮烷基团的铵阳离子，或磷銨阳离子。）
• Mechanisms of Allene Stereoinversion by Imidozirconium Complexes
  作者：Forrest E. Michael、Andrew P. Duncan、Zachary K. Sweeney、Robert G. Bergman

  DOI：10.1021/ja0348389

  日期：2003.6.1

  stereochemical behavior of metallacycles derived from [2 + 2] cycloaddition of enantioenriched allenes with chiral and achiral imidozirconocene complexes. Relative rates of metallacycle racemization were measured by circular dichroism, and intermediates in the selective stereoinversion of diphenylallene with a chiral imidozirconium complex were observed by NMR spectroscopy. Metallacycles derived from dialkylallenes

  通过研究由对映体富集的丙二烯与手性和非手性 imidozirconocene 配合物的 [2 + 2] 环加成得到的金属环的立体化学行为，研究了锆介导的丙二烯立体转化。通过圆二色性测量金属环外消旋的相对速率，并通过核磁共振光谱观察二苯基丙二烯与手性咪唑锆配合物的选择性立体转化中的中间体。衍生自二烷基丙二烯的金属环被提议通过可逆的 β-氢化物消除进行外消旋化。二芳基丙二烯衍生的金属环的立体转化进行得慢得多，并且被认为是通过 eta4-氮杂三亚甲基甲烷过渡态进行的。
• ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD.

  公开号：US20190002403A1

  公开（公告）日：2019-01-03

  The present invention relates to a compound represented by the general formula (A), a base- and/or radical-generating agent comprising the compound, and so on. In the formula, four pieces of R 1 each independently represents a hydrogen atom or a fluorine atom; four pieces of R 2 each independently represent a fluorine atom or a trifluoromethyl group; R 3 , R 6 , R 7 and R 10 each independently represent a hydrogen atom or an alkyl group having 1 to 12 carbon atoms; R 4 and R 5 each independently represent a hydrogen atom or an alkyl group having 1 to 12 carbon atoms, or R 4 and R 5 are bonded to each other to represent an alkylene group having 2 to 4 carbon atoms; and R 8 and R 9 each independently represent a hydrogen atom, an alkyl group having 1 to 12 carbon atoms, or an aryl group having 6 to 14 carbon atoms and optionally having a substituent selected from the group consisting of an alkyl group having 1 to 6 carbon atoms, an alkoxy group having 1 to 6 carbon atoms, an alkylthio group having 1 to 6 carbon atoms, a dialkylamino group having 2 to 12 carbon atoms, a halogen atom, and a nitro group, or R 8 and R 9 are bonded to each other to represent an alkylene group having 2 to 4 carbon atoms; provided that two or three of the eight groups R 3 to R 10 are each a hydrogen atom, and, in a case where two of the eight groups are each a hydrogen atom, then three to six of the remaining groups are each an alkyl group having 1 to 12 carbon atoms, and, in a case where three of the eight groups are each a hydrogen atom, then four or five of the remaining groups are each an alkyl group having 1 to 12 carbon atoms.

  本发明涉及一种由通式（A）表示的化合物，包括该化合物的生成碱基和/或基团产生剂等。在该式中，四个R1分别独立表示氢原子或氟原子；四个R2分别独立表示氟原子或三氟甲基基团；R3、R6、R7和R10分别独立表示氢原子或具有1至12个碳原子的烷基基团；R4和R5分别独立表示氢原子或具有1至12个碳原子的烷基基团，或者R4和R5相互连接表示具有2至4个碳原子的亚烷基基团；R8和R9分别独立表示氢原子、具有1至12个碳原子的烷基基团或具有6至14个碳原子且可选地具有选自包括具有1至6个碳原子的烷基基团、具有1至6个碳原子的烷氧基团、具有1至6个碳原子的烷硫基团、具有2至12个碳原子的二烷基氨基团、卤素原子和硝基基团的取代基的芳基团，或者R8和R9相互连接表示具有2至4个碳原子的亚烷基基团；前提是八个基团R3至R10中的两个或三个分别是氢原子，并且在其中两个基团分别是氢原子的情况下，其余基团中的三到六个分别是具有1至12个碳原子的烷基基团，而在其中三个基团分别是氢原子的情况下，其余基团中的四个或五个分别是具有1至12个碳原子的烷基基团。
• Basicity of Guanidines with Heteroalkyl Side Chains in Acetonitrile
  作者：Mirjana Eckert-Maksić、Zoran Glasovac、Pavle Trošelj、Agnes Kütt、Toomas Rodima、Ivar Koppel、Ilmar A. Koppel

  DOI：10.1002/ejoc.200800673

  日期：2008.10

  was shown that basicity ordering of the bases with dimethylaminopropyl substituents in acetonitrile follows the trend encountered in the gas phase. However, this is not the case for the methoxypropyl-substituted guanidines indicating that in these molecules formation of the intramolecular hydrogen bonds is to large extent hindered due to solvation by acetonitrile.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451

  使用紫外/可见分光光度法滴定法在乙腈 (MeCN) 中测定了七种新型胍衍生物的 pKa 值，其中六种具有能够形成分子内氢键的杂烷基取代基。获得的 pKa 值范围从 24.7 到 27.2。在研究的胍中，最基本的被发现是大约。比众所周知的超强碱 N1,N1,N3,N3-四甲基胍 (TMG) 碱性强 4 个 pKa 单位。将测得的 pKa 值变化趋势与实验（由扩展动力学方法确定）和理论 [B3LYP/6-311+G(2df,p)//B3LYP/6-31G(d)] 气体进行比较-相质子亲和力。结果表明，乙腈中带有二甲基氨基丙基取代基的碱的碱性排序遵循气相中遇到的趋势。然而，