1-氯-5,7-二甲基-3,4-二氢萘-2-甲醛 | 443305-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-氯-5,7-二甲基-3,4-二氢萘-2-甲醛
• 英文名称: 1-chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxaldehyde
• 英文别名: 1-Chloro-5,7-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
• CAS: 443305-29-1
• 化学式: C₁₃H₁₃ClO
• mdl: MFCD07371507
• 分子量: 220.699
• InChiKey: QOICTAWQJGBNIX-UHFFFAOYSA-N

物化性质

• 沸点：
  338.9±42.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-氯-5,7-二甲基-3,4-二氢萘-2-甲醛 在 palladium diacetate 、 sodium chlorite 、 氯化亚砜 、 四丁基溴化铵 、 双氧水 、 potassium carbonate 、 三乙胺 作用下， 以 乙醚 、 水 、 乙腈 为溶剂， 生成 9,11-dimethyl-7,8-dihydronaphtho[1,2-c]chromen-6-one
  参考文献：
  名称：

  A rapid access to coumarin derivatives (using Vilsmeier–Haack and Suzuki cross-coupling reactions)

  摘要：

  A four-step preparation of compounds containing a coumarinic moiety is presented. This synthesis involves notably a Suzuki cross-coupling reaction (performed in aqueous Media) and a ring closure by formation of delta-lactone. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02373-5
• 作为产物：
  描述：

  5,7-二甲基-1-萘满酮 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 以96%的产率得到1-氯-5,7-二甲基-3,4-二氢萘-2-甲醛
  参考文献：
  名称：

  A rapid access to coumarin derivatives (using Vilsmeier–Haack and Suzuki cross-coupling reactions)

  摘要：

  A four-step preparation of compounds containing a coumarinic moiety is presented. This synthesis involves notably a Suzuki cross-coupling reaction (performed in aqueous Media) and a ring closure by formation of delta-lactone. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)02373-5

文献信息

• Cascade C-C and C-N Bond Formation: A Straightforward Synthesis of Phenanthridines and Fused Quinol­ines
  作者：Ashwini Borah、Pranjal Gogoi

  DOI：10.1002/ejoc.201600220

  日期：2016.4

  Pd-catalyzed cascade process has been developed for the synthesis of quinoline and phenanthridine derivatives from various β-chloro α,β-unsaturated aldehydes and 2-chloroaryl aldehydes, respectively, in good to high yields. The reaction proceeds through Pd-catalyzed cascade carbon–carbon and carbon–nitrogen bond formation in a single reaction vessel. The requisite β-chloro α,β-unsaturated aldehydes were efficiently

  已经开发了一种 Pd 催化的级联工艺，用于分别从各种 β-氯 α,β-不饱和醛和 2-氯芳基醛合成喹啉和菲啶衍生物，收率良好。该反应通过 Pd 催化的级联碳 - 碳和碳 - 氮键在单个反应容器中形成。必需的β-氯α,β-不饱和醛是由相应的羰基化合物有效合成的。配体 Sphos 与 Pd(OAc)2 的使用对于本级联工艺的成功实施至关重要。该合成方案也适用于三球定生物碱的克级合成。
• Synthesis of Pyridine-Fused Ring Systems from β-Chloroacroleins: A Comparison­ of Three Different Pathways
  作者：Gilbert Kirsch、Stéphanie Hesse

  DOI：10.1055/s-2003-38081

  日期：——

  Three different pathways for the access of pyridine-fused ring systems are described: 1) a Sonogashira coupling of β-chloroacroleins followed by cyclization of the corresponding imines; 2) the same coupling reaction followed by cyclization of the corresponding oximes; and 3) a palladium-catalyzed iminoannulation of internal alkynes.

  描述了进入吡啶稠合环系统的三种不同途径： 1) β-氯丙烯醛的 Sonogashira 偶联，然后环化相应的亚胺； 2)同样的偶联反应，然后环化相应的肟； 3) 钯催化的内部炔烃的亚氨基环化。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• Synthesis and biological evaluation of guanylhydrazone coactivator binding inhibitors for the estrogen receptor
  作者：Andrew L. LaFrate、Jillian R. Gunther、Kathryn E. Carlson、John A. Katzenellenbogen

  DOI：10.1016/j.bmc.2008.10.007

  日期：2008.12

  Most patients with hormone-responsive breast cancer eventually develop resistance to traditional antiestrogens such as tamoxifen, and this has become a major obstacle in their treatment. We prepared and characterized the activity of a series of 16 guanylhydrazone small molecules that are designed to block estrogen receptor (ER) activity through a non-traditional mechanism, by directly interfering with coactivator binding to agonist-liganded ER. The inhibitory activity of these compounds was determined in cell-based transcription assays using ER-responsive reporter gene and mammalian two-hybrid assays. Several of the compounds gave IC50 values in the low micromolar range. Two secondary assays were used to confirm that these compounds were acting through the proposed non-traditional mode of estrogen inhibitory action and not as conventional antagonists at the ligand binding site. (c) 2008 Elsevier Ltd. All rights reserved.
• EP1650202
  申请人：——

  公开号：——

  公开（公告）日：——