cis-4,5-diaminocyclohexene dihydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cis-4,5-diaminocyclohexene dihydrochloride
• 英文别名: cis-4-cyclohexene-1,2-diamine dihydrochloride；cis-1,2-diaminocyclohex-4-ene dihydrochloride；cis-cyclohex-3-enyl-1,2-diamine dihydrochloride；(1S,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride
• 化学式: C₆H₁₂N₂*2ClH
• 分子量: 185.097
• InChiKey: QWKSYVBVTDXWFU-KNCHESJLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.41
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cis-4,5-diaminocyclohexene dihydrochloride 在 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 cis-N,N'-bis-(prop-2-ynyl)-N,N'-bis-(p-toluenesulfonyl)-1,2-diaminocyclohex-4-ene
  参考文献：
  名称：

  Alkene and enyne metathesis reactions on allylic and propargylic amines

  摘要：

  Treatment of cis-4,5-diaminocyclohexene derivatives bearing allyl or propargyl groups on the nitrogen atoms, with first or second generation Grubbs metathesis catalysts, results in initiation of metathesis cascades which include ring-opening of the unstrained cyclohexene ring. This contrasts with the previous work on the analogous cyclohexene ethers where metathesis reactions occurred exclusively between the side-chains and no ring-opening of the cyclohexene unit was observed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.01.092
• 作为产物：
  描述：

  cis-1,2,3,6-tetrahydrophthalic anhydride 在 盐酸 、 叠氮基三甲基硅烷 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 22.5h， 生成 cis-4,5-diaminocyclohexene dihydrochloride
  参考文献：
  名称：

  Noncovalent Secondary Interactions in Co(II)Salen Complexes:  O₂ Binding and Catalytic Activity in Cyclohexene Oxygenation

  摘要：

  The O-2 affinity of Co(II)Salen complexes 1-4 and their reactivity in cyclohexene oxygenation reactions of Co(II)Salen complexes 1-4 are modulated by noncovalent interactions such as hydrogen bonding and steric hindrance using a functionalized diamino bridge. Higher O-2 affinity is observed in the case of efficient hydrogen-bonding interactions (complex 1), while increased steric hindrance (cis vs trans diamino bridge) around the Co-coordinated O-2 is influencing the reactivity of the complexes.

  DOI：

  10.1021/jo026118a

文献信息

• Diamine derivatives
  申请人：Ohta Toshiharu

  公开号：US20050020645A1

  公开（公告）日：2005-01-27

  A compound represented by the general formula (1): Q 1 -Q 2 -T 0 -N(R 1 )-Q 3 -N(R 2 )-T 1 -Q 4 (1) wherein R 1 and R 2 are hydrogen atoms or the like; Q 1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like; Q 2 is a single bond or the like; Q 3 is a group in which Q 5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T 0 and T 1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  通用式（1）表示的化合物： Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4（1） 其中R1和R2是氢原子或类似物；Q1是饱和或不饱和的、5-或6-成员环烃基，可以被取代，或类似物；Q2是单键或类似物；Q3是一个基团，其中Q5是具有1至8个碳原子的烷基基团，或类似物；T0和T1是羰基团或类似物；其盐、溶剂合物或N-氧化物。 该化合物可用作预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、布尔格病、深静脉血栓形成、弥散性血管内凝血综合征、瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征（SIRS）、多器官功能障碍综合征（MODS）、体外循环期间的血栓形成，或抽血时的血液凝结。
• Stereocontrolled syntheses for the six diastereomeric 1,2-dihydroxy-4,5-diaminocyclohexanes: PtII complexes and P-388 antitumor properties
  作者：Donald T. Witiak、David P. Rotella、Joyce A. Filippi、Judith Gallucci

  DOI：10.1021/jm00391a011

  日期：1987.8

  were liberated upon catalytic (H2, Pd/C) hydrogenation. Catalytic osmylation of 9 afforded a mixture of diastereomeric diols 13 and 14, which served as precursors to cis-anti-cis CDD 3b and cis-syn-cis CDD 3a, respectively, whereas osmylation of 11 yielded the expected single product 12, the precursor to cis-anti-trans CDD 3d. Epoxidation of olefins 9 and 11 afforded oxiranes 15 and 17, respectively,

  描述了由环己烯二胺cis-4和trans-5的六个非对映异构体1,2-二羟基-4,5-二氨基环己烷3a-f的立体控制的合成。Cbz保护的物种cis-9和trans-11分别作为这些环己二醇二胺（CDD）稳定的Cbz保护的前体的来源，这些环氧化物在催化（H2，Pd / C）氢化后释放。9的催化渗透作用提供了非对映二醇13和14的混合物，它们分别用作顺式-抗-顺式CDD 3b和顺式-顺式-顺式CDD 3a的前体，而11的渗透作用产生了预期的单一产物12顺-反-反CDD 3d。烯烃9和11的环氧化分别提供了环氧乙烷15和17，它们在酸催化水解后产生了相应的Cbz保护的二醇16和18，它是CDD反-反-顺3c和反-反-反3e的前体。由环氧乙烷17形成二醇18的同时伴随有2-oxa-4-氮杂双环[3.3.1]壬基3-one 19的形成。CDD反式-反式-反式3f是由二醇12通过区域选择性单乙酰化制备
• Hydrolysis of Cyclic Ureas under Microwave Irradiation: Synthesis and Characterization of 7,8‐Diaminopelargonic Acid
  作者：Ganga Ramu Vasanthakumar、Vikrant M. Bhor、Avadhesha Surolia

  DOI：10.1080/00397910701464951

  日期：2007.8

  Abstract A simple and efficient method for the synthesis of 7,8‐diaminopelargonic acid, a key intermediate in the biotin biosynthesis pathway, is reported. The d‐desthiobiotin powder was dissolved in concentrated hydrochloric acid, and the solution was exposed to microwave radiation of 2.45 GHz for varying lengths of time ranging from 60 s to 2 min. The product thus obtained was characterized by spectroscopic

  摘要 报道了一种简单有效的合成 7,8-二氨基壬酸（生物素生物合成途径中的关键中间体）的方法。将 d-脱硫生物素粉末溶解在浓盐酸中，并将溶液暴露于 2.45 GHz 的微波辐射中，时间长度从 60 秒到 2 分钟不等。由此获得的产物通过光谱技术表征并通过生物测定证实。此外，该协议还扩展到从相应的环脲合成几种二胺。结果表明，该方法具有普遍适用性，不仅加速了水解反应，而且产率也很高。
• Diamine Derivatives
  申请人：Ohta Toshiharu

  公开号：US20110312990A1

  公开（公告）日：2011-12-22

  A compound represented by the general formula (1): -Q 1 -Q 2 -T 0 -N(R 1 )-Q 3 -N(R 2 )-T 1 -Q 4 (1) wherein R 1 and R 2 are hydrogen atoms or the like; Q 1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like; Q 2 is a single bond or the like; Q 3 is a group in which Q 5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T 0 and T 1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  化合物的一般式表示为(1)：-Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4(1)，其中R1和R2为氢原子或类似物；Q1为饱和或不饱和的5-或6-成员环烃基，可以是取代基或类似物；Q2为单键或类似物；Q3为其中Q5为1至8个碳原子的烷基或类似物的基团；T0和T1为羰基或类似物。该化合物及其盐、溶剂化物或N-氧化物可用于预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、布尔格病、深静脉血栓形成、弥散性血管内凝血综合征、瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征(SIRS)、多器官功能障碍综合征(MODS)、体外循环期间的血栓形成或采血时的血液凝固。
• DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM
  申请人：OHTA Toshiharu

  公开号：US20090281074A1

  公开（公告）日：2009-11-12

  Drug compositions containing a substituted diamine compound represented by formula (1): Q 1 -Q 2 -r-N(R 1 )-Q 3 -N(R 2 )  (1) wherein Q 3 represents the following group wherein Q 5 represents an alkylene group having 4 carbon atoms, R 3 represents a hydrogen atom, and R 4 represents a 3-6 membered heterocyclic group which may be substituted; are useful for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after artificial valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  含有以下式子（1）所代表的取代二胺化合物的药物组合物： Q1-Q2-r-N（R1）-Q3-N（R2）  （1） 其中，Q3代表以下基团： 其中，Q5代表具有4个碳原子的烷基基团，R3代表氢原子，R4代表可取代的3-6环杂环基团； 该药物组合物对于预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、布尔格病、深静脉血栓形成、弥散性血管内凝血综合征、人工瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征（SIRS）、多器官功能障碍综合征（MODS）、体外循环期间的血栓形成或采血时的血凝。