3,5-diaminobenzyl alcohol | 28150-13-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-diaminobenzyl alcohol
• 英文别名: 3,5-diamino benzyl alcohol；3,5-diamino-benzyl alcohol；3,5-Diaminobenzylalcohol；3,5-Diaminobenzylalkohol；(3,5-Diaminophenyl)methanol
• CAS: 28150-13-2
• 化学式: C₇H₁₀N₂O
• mdl: MFCD19159557
• 分子量: 138.169
• InChiKey: OHLQBRYVKXJYHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  72.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-diaminobenzyl alcohol 在 吡啶 、 N-methoxymorpholine 作用下， 以 乙醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.25h， 生成 [3-Hydroxymethyl-5-(4-methoxy-5-methylcarbamoyl-acridin-9-ylamino)-phenyl]-carbamic acid ethyl ester; hydrochloride
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Potential Anticancer Agents:  Alkylcarbamates of 3-(9-Acridinylamino)-5-hydroxymethylaniline

  摘要：

  A series of potential 9-anilinoacridine antitumor agents, 3-(9-acridinylamino)-5-hydroxymethylaniline (AHMA) derivatives with monosubstituent at C4' and disubstituents at C4' and C5' of the acridine ring and their alkylcarbamates, were synthesized for evaluation of their antitumor activity. A structure-activity relationship (SAR) study showed that the AHMA-alkylcarbamates were more potent than their corresponding parent AHMA compounds. In addition, the cytotoxicity of the AHMA-alkylcarbamate decreased with increasing length and size of the alkyl function. Among these compounds, AHMA-ethylcarbamate (18) and 4'-methyl-5'-dimethylaminoethylcarboxamido-AHMA-ethylcarbamate (34) possess potent cytotoxicity on the inhibition of human leukemic HL-60 cell growth in culture. Further in vivo studies of these compounds displayed significant anticancer therapeutic effects in mice bearing sarcoma 180, Lewis lung carcinoma, and P388 leukemia.

  DOI：

  10.1021/jm9901226
• 作为产物：
  描述：

  3,5-二氨基苯甲酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 22.5h， 以42%的产率得到3,5-diaminobenzyl alcohol
  参考文献：
  名称：

  Dinitreno pentaradicals：有机六重体分子

  摘要：

  相应的重氮基前体在氩气中于5 K进行紫外线光解后，获得了一个新的六重峰基态分子2,4,6-三氯-1,3-二氢萘酚基。 EPR光谱法检测到四重氮基自由基和五重氮化二萘醚作为中间体。IR和UV-Vis测量仅使我们能够观察到主要产物五重体二nitrene。在六重态下，两个氮烯中心与以氧为中心的自由基之间的偶联导致| D / hc |的零场分裂（zfs）参数。= 0.088 cm -1和| E / hc | = 0.009厘米-1，比以前报道的有机六重体分子大得多。还通过EPR光谱研究了通过用碳中心自由基代替氧中心自由基形成的类似六重二氮化物，在这种情况下，zfs参数| D / hc | = 0.125 cm -1和| E / hc | = 0.023 cm -1表示更大的自旋定位。版权所有©2016 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.3621

文献信息

• Contrast media
  申请人：Amersham Health AS

  公开号：US06448442B1

  公开（公告）日：2002-09-10

  The invention provides low viscosity iodinated aryl compounds, useful as X-ray contrast agents of formula I wherein n is 0 or 1, and where n is 1 each C6R5 moiety may be the same or different; X denotes a bond or a group providing a 1 to 7 atom chain linking two C6R5 moieties or, where n is 0, X denotes a group R; each group R is a hydrogen atom, an iodine atom or a hydrophilic moiety M or M1, two or three non-adjacent R groups in each C6R5 moiety being iodine and at least one R group in each C6R5 moiety being an M or M1 moiety; each M which may be the same or different, is a non-ionic hydrophilic moiety; and each M1 independently represents a —CHOHCON(R1)2 group wherein each R1, which may be the same or different, is a hydrogen atom, an OH group or a C1-6 alkoxy or optionally hydroxylated C1-5 alkyl group; at least one R group in the molecule being an M1 moiety; and isomers thereof.

  该发明提供了低粘度碘化芳基化合物，作为公式I的X射线造影剂，其中n为0或1，当n为1时，每个C6R5基团可以相同也可以不同；X表示连接两个C6R5基团的1至7个原子链的键或基团，或者当n为0时，X表示基团R；每个基团R是氢原子、碘原子或亲水基团M或M1，每个C6R5基团中的两个或三个非相邻的R基团为碘，且每个C6R5基团中至少一个R基团为M或M1基团；每个M可以相同也可以不同，是非离子性亲水基团；每个M1独立地表示一个—CHOHCON(R1)2基团，其中每个R1可以相同也可以不同，是氢原子、羟基或C1-6烷氧基或选择性羟基化的C1-5烷基基团；分子中至少一个R基团为M1基团；以及其异构体。
• Iodinated x-ray contrast media
  申请人：Nycomed Imaging AS

  公开号：US06310243B1

  公开（公告）日：2001-10-30

  The invention provides low viscosity iodinated aryl compounds, useful as X-ray contrast agents, of formula C6R6 wherein three non-adjacent R groups are iodine and the remaining R groups are non-ionic, hydrophilic moieties, said compound being water soluble at 20° C. to a concentration of at least 350 mgl/ml and which in aqueous solution at 20° C. at a concentration of 350 mgl/ml has a viscosity no greater than 13.8 mPas.

  该发明提供了低粘度碘化芳基化合物，可用作X射线造影剂，其化学式为C6R6，其中三个非相邻的R基团为碘，其余的R基团为非离子、亲水基团，所述化合物在20°C时可溶于水，浓度至少为350 mgl/ml，在20°C时在水溶液中浓度为350 mgl/ml时，粘度不大于13.8 mPas。
• NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE
  申请人：NISSAN CHEMICAL INDUSTRIES. LTD.

  公开号：US20160264520A1

  公开（公告）日：2016-09-15

  To provide a novel diamine, and a polyimide precursor and a polyimide using it. A diamine represented by the formula (1): wherein each of X 1 and X 5 which are independent of each other, is a single bond or the like; each of X 2 and X 4 which are independent of each other, is —CH 2 — or the like; X 3 is a C 1-6 alkylene or the like; each of Y 1 and Y 2 which are independent of each other, is a single bond or the like; R is a C 1-20 linear, branched or cyclic hydrocarbon group; and a is 0 or 1).

  提供一种新颖的二胺，以及使用它的聚酰亚胺前体和聚酰亚胺。一种由式（1）表示的二胺：其中X1和X5中的每一个独立的，是单键或类似物；X2和X4中的每一个独立的，是—CH2—或类似物；X3是C1-6烷基或类似物；Y1和Y2中的每一个独立的，是单键或类似物；R是C1-20线性、支链或环烃基；a为0或1。
• Synthese und anwendung von blockcopolymeren mit funktionellen gruppen in definiertem abstand unter verwendung von polyäthylenglykolen und diisocyanaten
  作者：E. Bayer、I. Gatfield、H. Mutter、M. Mutter

  DOI：10.1016/0040-4020(78)80216-6

  日期：1978.1

  The synthesis of blockcopolymers carrying functional groups at defined distance is described. Polyethy-leneglycol of various molecular weight is reacted with 3,5-diisoyanato benzylchlorid and 3-nitro-3-aza-pentan-1,5 diisocyanate, respectively. The exact amount of OH-groups of the polyethyleneglycol blocks used in the polyad-dition reaction is determined spectroscopically after quantitative reaction

  描述了在限定距离处带有官能团的嵌段共聚物的合成。使各种分子量的聚乙烯-乙二醇分别与3,5-二异氰酸基苄基氯和3-硝基-3-氮杂-戊烷-1,5-二异氰酸酯反应。加聚反应中使用的聚乙二醇嵌段的OH-基团的确切数量在与异氰酸苯酯定量反应后，通过光谱法确定。因此，获得了高分子量的聚合物。通过四肽的合成证明了在根据液相方法的逐步肽合成中这些共聚物作为增溶保护基的相容性。
• 9-anilinoacridine alkylating agents
  申请人：Su Tsann-Long

  公开号：US20080176889A1

  公开（公告）日：2008-07-24

  This invention relates to 9-anilinoacridine alkylating agents, their synthesis and their use in pharmaceutical compositions for treating diseases.

  这项发明涉及9-苯胺基吖啶烷基化剂，它们的合成以及它们在治疗疾病的药物组合物中的应用。