rac-trans-cycloheptane-1,2-diamine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: rac-trans-cycloheptane-1,2-diamine
• 英文别名: trans-cycloheptane-1,2-diyldiamine；trans-Cycloheptan-1,2-diyldiamin；(1R,2R)-cycloheptane-1,2-diamine
• 化学式: C₇H₁₆N₂
• mdl: MFCD18834218
• 分子量: 128.217
• InChiKey: DBBUVLSRTWYISN-RNFRBKRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  rac-trans-cycloheptane-1,2-diamine 、 对硝基苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以73%的产率得到rac-N,N'-(trans-cycloheptane-1,2-diyl)bis(4-nitrobenzenesulfonamide)
  参考文献：
  名称：

  3-(5-AMINO-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF

  摘要：

  本公开提供一种化合物Formula (I′)：或其药用盐、水合物、溶剂合物、前药、立体异构体或互变异构体，其中Ra、Rb、Rx、R1、R2、X2和q如本文所定义，并提供制备和使用该化合物的方法。

  公开号：

  US20200016143A1
• 作为产物：
  描述：

  1,2-环庚二酮二肟 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 rac-trans-cycloheptane-1,2-diamine
  参考文献：
  名称：

  金属离子与多胺配合物的热力学研究

  摘要：

  DOI：

  10.1021/j150562a018

文献信息

• Catalytic compositions and methods for asymmetric allylic alkylation
  申请人：——

  公开号：US20020198383A1

  公开（公告）日：2002-12-26

  Complexes of a selected class of chiral ligands with molybdenum, tungsten or chromium, preferably molybdenum, are effective as catalysts in highly enantioselective and regioselective alkylation of allylic substrates.

  一种选择性手性配体与钼、钨或铬形成的络合物，优选钼，可作为催化剂，在烯丙基底物的高对映选择性和区域选择性烷基化反应中具有高效性。
• Ethylenediamine derivatives
  申请人：——

  公开号：US20040122063A1

  公开（公告）日：2004-06-24

  The invention relates a compound represented by the formula (1): Q 1 -Q 2 -C(═O)—N(R 1 )-Q 3 -N(R 2 )-T 1 -Q 4 ( 1 ) wherein R 1 and R 2 represent H or the like; Q 1 represents an aromatic ring, heterocyclic ring or the like; Q 2 represents a single bond, aromatic ring, heterocyclic ring or the like; Q 3 represents a group 1 or the like, Q 4 represents an aromatic ring, heterocyclic ring or the like; and T 1 represents —CO— or —SO 2 —, and a medicine which comprises the compound and is useful for thrombosis and embolism.

  本发明涉及一种由式（1）表示的化合物：Q1-Q2-C(═O)—N(R1)-Q3-N(R2)-T1-Q4(1)，其中R1和R2代表H或类似物；Q1代表芳香环，杂环或类似物；Q2代表单键，芳香环，杂环或类似物；Q3代表群1或类似物，Q4代表芳香环，杂环或类似物；T1代表—CO—或—SO2—，以及包含该化合物并对治疗血栓和栓塞有用的药物。
• Dipyridoxyl phosphate nuclear magnetic resonance imagery contrast agents
  申请人：NYCOMED SALUTAR, INC.

  公开号：EP0290047A2

  公开（公告）日：1988-11-09

  N,N′-bis-(pyridoxal-5-phosphate)-alkylenediamine-­N,N′-diacetic acids, N,N′-bis-(pyridoxal-5-phosphate)-­1,2-cycloalkylenediamine N,N′-diacetic acids, and N,N′-bis-(pyridoxal-5-phosphate)-1,2-arylenediamine-­N,N′-diacetic acids, the corresponding monophosphate compounds and monoacetic acid compounds, and their salts and esters form stable, highly soluble chelates with paramagnetic metal ions, and are highly effective NMRI contrast agents. Preferred contrast agents are paramagnetic ion chelates of N,N′-bis-(pyridoxal-5-phosphate)ethylene diamine-N,N′-diacetic acid, N,N′-bis-(pyridoxal-­5-phosphate)trans-1,2-cyclohexylenediamine-N,N′-diacetic acid, N,N′-bis-(pyridoxal-5-phosphate)trans-1,2-arylened­iamine-N,N′-diacetic acid, and the soluble calcium salts thereof. Novel intermediates for forming these compounds are N,N′-bis(pyridoxal-5-phosphate)alkylenediimines, N,N′-bis(pyridoxal-5-phosphate)alkylenediamines, N,N′-bis(pyridoxal-5-phosphate)-1,2-cycloalkylenedi­imines, N,N′-bis(pyridoxal-5-phosphate)-1,2-cycloalky­lenediamines, N,N′-bis(pyridoxal-5-phosphate)-1,2-ary­lenediamines, and the corresponding monophosphate compounds.

  N,N′-双-(5-磷酸吡哆醛)-烷基二胺-N,N′-二乙酸、N,N′-双-(5-磷酸吡哆醛)-1,2-环烷基二胺-N,N′-二乙酸、N,N′-双-(5-磷酸吡哆醛)-1,2-芳基二胺-N、N′-二乙酸、相应的单磷酸化合物和单乙酸化合物及其盐和酯与顺磁性金属离子形成稳定、高溶解度的螯合物，是高效的 NMRI 造影剂。首选的造影剂是 N,N′-双（5-磷酸吡哆醛）乙二胺-N,N′-二乙酸、N,N′-双（5-磷酸吡哆醛）反式-1、2-环己二胺-N,N′-二乙酸、N,N′-双-(5-磷酸吡哆醛)反式-1,2-芳二胺-N,N′-二乙酸及其可溶性钙盐。 形成这些化合物的新型中间体有 N,N′-双（5-磷酸吡哆醛）烷二亚胺、N,N′-双（5-磷酸吡哆醛）烷二胺、N,N′-双（5-磷酸吡哆醛）-1、2-环烷基二亚胺、N,N′-双(5-磷酸吡哆醛)-1,2-环烷基二胺、N,N′-双(5-磷酸吡哆醛)-1,2-芳基二胺以及相应的单磷酸盐化合物。
• Pyridoxamine chelating compounds, manganese (II) chelates and their use as NMRI contrast agents
  申请人：NYCOMED SALUTAR, INC.

  公开号：EP0292761A2

  公开（公告）日：1988-11-30

  Manganese(II) chelates of N,N′-bis-(pyridoxal)­alkylenediamine-N,N′-diacetic acids, N,N′-bis-­(pyridoxal)-1,2-cycloalkylenediamine-N,N′-diacetic acids, N,N′-bis-(pyridoxal)-1,2-arylenediamine-­N,N′-diacetic acids, N,N′-bis-(pyridoxal)­alkylenediamine-N-acetic acids, N,N′-bis-­(pyridoxal)-1,2-cycloalkylenediamine-N-acetic acids, N,N′-bis-(pyridoxal)-1,2-arylenediamine-N-acetic acids, and their salts are highly stable, superior NMRI contrast agents. They maintain the manganese(II) ion in the +2 valence state. Preferred contrast agents are manganese(II) ion chelates of N,N′-bis-(pyridoxal)ethylenediamine- N,N′-diacetic acid, N,N′-bis-(pyridoxal)trans-1,2-cyclohexylenediamine-­N,N′-diacetic acid, and the salts and esters thereof. Novel chelate forming compounds are the N,N′-bis-(pyridoxal)-1,2-cycloalkylenediamine-­N,N′-diacetic acids and N,N′-bis-(pyridoxal)-1,2-arylene­diamine-N,N′-diacetic acids, N,N′-bis-(pyridoxal)­alkylenediamine-N-acetic acids, N,N′-bis(pyridoxal)-­1,2-cycloalkylenediamine-N-acetic acids, N,N′-bis-­(pyridoxal)-1,2-arylenediamine-N-acetic acids, and their salts and esters.

  N,N′-双（吡哆醛）烷二胺-N,N′-二乙酸、N,N′-双（吡哆醛）-1、2-环烷基二胺-N,N′-二乙酸、N,N′-双-(吡哆醛)-1,2-芳基二胺-N,N′-二乙酸、N、N,N′-双（吡哆醛）烷基二胺-N-乙酸、N,N′-双（吡哆醛）-1,2-环烷基二胺-N-乙酸、N,N′-双（吡哆醛）-1,2-芳基二胺-N-乙酸及其盐类是高度稳定的优质 NMRI 造影剂。它们能使锰（II）离子保持 +2 价态。首选的造影剂是 N,N′-双（吡哆醛）乙二胺-N,N′-二乙酸、N,N′-双（吡哆醛）反式-1,2-环己基二胺-N,N′-二乙酸及其盐和酯的锰（II）离子螯合物。 新型的螯合形成化合物有 N,N′-双（吡哆醛）-1,2-环烷基二胺-N,N′-二乙酸和 N,N′-双（吡哆醛）-1,2-芳基二胺-N,N′-二乙酸、N、N,N′-双(吡哆醛)烷基二胺-N-乙酸、N,N′-双(吡哆醛)-1,2-环烷基二胺-N-乙酸、N,N′-双(吡哆醛)-1,2-芳基二胺-N-乙酸及其盐和酯。
• Radioactive metal chelates of dipyridoxyl phosphate
  申请人：NYCOMED SALUTAR, INC.

  公开号：EP0290041A2

  公开（公告）日：1988-11-09

  Radioactive metal ion chelates of N,N-bis-(pyridoxal-5-phosphate)-alkylenediamine-N,N'-diacetic acids, N ,N'-bis-(pyridoxal-5-phosphate)-1,2-cycloalkylenediamine-N,N'-diacetic acids, and N,N -bis-(pyridoxal-5-phosphate)-1,2-aryienediamine-N,N -diacetic acids, the corresponding monophosphate compounds and monoacetic acid compounds, and their salts and esters form stable, highly soluble chelates with paramagnetic metal ions, and are highly effective agents for radiopharmaceutical imaging. Preferred contrast agents are radioactive metal ion such as technetium-99m and indium-111 ion chelates of N,N'-bis-(pyridoxal-5-phosphate)ethylenediamine-N,N-diacetic acid, N,N'-bis-(pyridoxal-5-phosphate)trans-1,2-cyclohexylenediamine-N,N'-diacetic acid, N,N'-bis-(pyridoxal-5-phosphate)trans-1,2-arylenediamine-N,N'-diacetic acid, and the soluble calcium salts thereof.

  N,N-双-(吡哆醛-5-磷酸)-烷基二胺-N,N'-二乙酸、N,N'-双-(吡哆醛-5-磷酸)-1,2-环烷基二胺-N,N'-二乙酸、N,N-双-(吡哆醛-5-磷酸)-1,2-芳二胺-N,N'-二乙酸的放射性金属离子螯合物、相应的单磷酸盐化合物和单乙酸化合物及其盐和酯与顺磁性金属离子形成稳定的高溶解性螯合物、N-二乙酸、相应的单磷酸化合物和单乙酸化合物及其盐和酯与顺磁性金属离子形成稳定、高溶解度的螯合物，是放射性药物成像的高效制剂。首选的造影剂是放射性金属离子，如 N,N'-双（吡哆醛-5-磷酸）乙二胺-N,N-二乙酸、N、N,N'-双-(5-磷酸吡哆醛)反式-1,2-环己二胺-N,N'-二乙酸、N,N'-双-(5-磷酸吡哆醛)反式-1,2-芳二胺-N,N'-二乙酸及其可溶性钙盐。