tert-butyl-(4-iodophenethyl)carbamate | 477260-11-0

• 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: tert-butyl-(4-iodophenethyl)carbamate
• 英文别名: t-butyl [2-(4-iodophenyl)ethyl]carbamate；tert-butylN-[2-(4-iodophenyl)ethyl]carbamate；tert-butyl N-[2-(4-iodophenyl)ethyl]carbamate
• CAS: 477260-11-0
• 化学式: C₁₃H₁₈INO₂
• 分子量: 347.196
• InChiKey: HAFQQTYACXHVFR-UHFFFAOYSA-N

物化性质

• 沸点：
  391.8±25.0 °C(Predicted)
• 密度：
  1.451±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl-(4-iodophenethyl)carbamate 在 盐酸 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 18.0h， 生成 2-(4-iodophenyl)-N-methylethanamine
  参考文献：
  名称：

  [EN] CONJUGATES OF CHEMOTHERAPY AGENTS AND TISSUE-BINDING SMALL MOLECULES, COMPOSITIONS AND METHODS THEREOF
  [FR] CONJUGUÉS D'AGENTS DE CHIMIOTHÉRAPIE ET DE PETITES MOLÉCULES DE FIXATION TISSULAIRE, COMPOSITIONS ET MÉTHODES ASSOCIÉES

  摘要：

  The invention provides novel conjugates of tissue-binding small molecules and therapeutic agents and pharmaceutical compositions thereof, and their use in and methods of treatment of certain diseases or conditions (e.g., cancer).

  公开号：

  WO2023151513A1
• 作为产物：
  描述：

  4-碘苯基乙腈, 在 硼烷四氢呋喃络合物 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 tert-butyl-(4-iodophenethyl)carbamate
  参考文献：
  名称：

  [EN] CONJUGATES OF CHEMOTHERAPY AGENTS AND TISSUE-BINDING SMALL MOLECULES, COMPOSITIONS AND METHODS THEREOF
  [FR] CONJUGUÉS D'AGENTS DE CHIMIOTHÉRAPIE ET DE PETITES MOLÉCULES DE FIXATION TISSULAIRE, COMPOSITIONS ET MÉTHODES ASSOCIÉES

  摘要：

  The invention provides novel conjugates of tissue-binding small molecules and therapeutic agents and pharmaceutical compositions thereof, and their use in and methods of treatment of certain diseases or conditions (e.g., cancer).

  公开号：

  WO2023151513A1

文献信息

• A Highly Selective Mono-C-allylation of DTPA Pentaethyl Ester
  作者：Hisao Nemoto、Kenji Yatsuzuka、Shin-ya Tamagawa、Naoko Hirao、Masaki Kamiya、Tomoyuki Kawamura

  DOI：10.1055/s-0030-1259545

  日期：2011.3

  A highly selective mono-C-allylation of pentaethyl diethylenetriaminepentaacetate was achieved with allyl bromide and potassium carbonate via a newly developed elaborate procedure based on Stevens rearrangement. It is contrastive that the conservative one-pot procedure gave a complicated mixture.

  通过基于Stevens重排的新开发精细程序，成功实现了对五乙酰二乙烯三胺五乙酸酯的高度选择性单C-烯丙基化，采用了烯丙基溴和碳酸钾。值得注意的是，传统的一锅法则产生了复杂的混合物。
• PROCESS FOR PREPARATION OF DIETHYLENETRIAMINEPENTAACETIC ACID DERIVATIVE, AND DIETHYLENETRIAMINEPENTAACETIC ACID DERIVATIVE
  申请人：Nemoto Hisao

  公开号：US20120203027A1

  公开（公告）日：2012-08-09

  The objective of the present invention is to provide a process for simple and efficient preparation of an intermediate compound to synthesize a gadolinium complex having a substituent for improving a retention property in blood time and specificity to an intended organ. The objective of the present invention is also to provide an intermediate compound produced by the said production process. The process for preparation of the diethylenetriaminepentaacetic acid derivative (I): wherein R 1 to R 5 are independently C 1-6 alkyl groups; comprising the steps of: reacting a diethylenetriaminepentaacetic acid pentaester with a halogenated ally compound in an aprotic solvent; removing the excess halogenated ally compound (III); and reacting a reaction product of the diethylenetriaminepentaacetic acid pentaester and the halogenated ally compound with a base in a solvent.

  本发明的目的是提供一种简单高效的制备中间化合物的方法，以合成具有改善在血液中滞留时间和对特定器官的特异性的取代基的钆配合物。本发明的目的还在于提供由所述生产过程产生的中间化合物。制备二乙烯三胺五乙酸酯衍生物（I）的方法：其中R1至R5独立为C1-6烷基基团；包括以下步骤：在无极性溶剂中将二乙烯三胺五乙酸五酯与卤代烯丙基化合物反应；去除过量的卤代烯丙基化合物（III）；并在溶剂中将二乙烯三胺五乙酸五酯和卤代烯丙基化合物的反应产物与碱反应。
• Synthesis of a Potent Aminopyridine-Based nNOS-Inhibitor by Two Recent No-Carrier-Added 18F-Labelling Methods
  作者：Christian Drerup、Johannes Ermert、Heinz Coenen

  DOI：10.3390/molecules21091160

  日期：——

  nNOS-Inhibitor [(18)F]10 a "build-up" radiosynthesis was developed based on a corresponding iodonium ylide as labelling precursor. The such activated phenethyl group of the compound was efficiently and regioselectively labelled with n.c.a. [(18)F]fluoride in 79% radiochemical yield (RCY). After conversion by reductive amination and microwave assisted displacement of the protecting groups, the desired

  一氧化氮（NO）是一种重要的多功能信号分子，由NO合酶（NOS）的三种同工型产生，并与神经退行性疾病有关。iNOS（诱导型）或nNOS（神经元型）亚型的选择性抑制剂对于解码神经破坏性关键因素非常感兴趣，并且（18）F标记的类似物将允许通过正电子发射断层显像的分子成像研究NOS功能。尤其是，高选择性nNOS抑制剂6-（（（3-（（3-氟代苯乙基氨基）甲基）苯氧基）甲基）-4-甲基吡啶-2-胺（10）使其适合作为在（18）F中标记的化合物。无载波（nca）形式。为了制备（18）F标记的nNOS抑制剂[（18）F] 10，基于相应的碘鎓叶立德作为标记前体，开发了“堆积”放射合成。这种化合物的活化苯乙基被nca [（18）F]氟化物有效地区域选择性标记，放射化学收率（RCY）为79％。通过还原胺化和微波辅助取代保护基进行转化后，所需的nNOS抑制剂的总RCY含量约为15％。或者，为简化的“后期”（
• [EN] BETA-CARBOLINE SULPHONYLUREA DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE BÊTA-CARBOLINE SULFONYLURÉE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR D'EP4
  申请人：MERCK FROSST CANADA LTD

  公开号：WO2010034110A1

  公开（公告）日：2010-04-01

  The invention is directed to ß-carboline sulphonylurea derivatives as EP4 receptor antagonists useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, inflammation, osteoarthritis, and rheumatoid arthritis. Pharmaceutical compositions and methods of use are also included.

  该发明涉及ß-咔啉磺酰脲衍生物作为EP4受体拮抗剂，用于治疗EP4介导的疾病或症状，如急性和慢性疼痛、炎症、骨关节炎和类风湿性关节炎。药物组合物和使用方法也包括在内。
• Aminoalcohol derivatives
  申请人：——

  公开号：US20040138462A1

  公开（公告）日：2004-07-15

  The present invention relates to a compound formula wherein R 1 is phenyl, pyridyl, etc., each of which may be substituted with one or two substituent(s); R 2 is hydrogen, an amino protective group, etc.; R 3 and R 4 are each independently hydrogen, lower alkyl or hydroxy(lower)alkyl; R 5 is aryl, ar(lower)alkyl, etc., each of which may be substituted with one, two or three substituent(s); R 8 is hydrogen or halogen, X is a single bond or O—CH 2 —, and n is 0, 1 or 2, or a salt thereof. The compound [I] of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of pollakiurea or urinary incontinence. 1

  本发明涉及一种化合物配方，其中R1是苯基，吡啶基等，每个基团可以用一个或两个取代基取代；R2是氢，氨基保护基等；R3和R4各自独立地是氢，低碳基或羟基（低）碳基；R5是芳基，芳（低）碳基等，每个基团可以用一个、两个或三个取代基取代；R8是氢或卤素，X是单键或O-CH2-，n为0、1或2，或其盐。本发明的化合物[I]及其药学上可接受的盐对预防和/或治疗多尿或尿失禁非常有用。