4-Chloro-3-methoxy-5-nitro-benzaldehyde | 83163-84-2

• 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: 4-Chloro-3-methoxy-5-nitro-benzaldehyde
• 英文别名: 4-Chlor-3-methoxy-5-nitro-benzaldehyd；4-Chloro-3-methoxy-5-nitrobenzaldehyde
• CAS: 83163-84-2
• 化学式: C₈H₆ClNO₄
• 分子量: 215.593
• InChiKey: LDGUXLCCJPZXLG-UHFFFAOYSA-N

物化性质

• 熔点：
  118-119 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  355.4±42.0 °C(Predicted)
• 密度：
  1.447±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chloro-3-methoxy-5-nitro-benzaldehyde 在 镍 、 对甲苯磺酸 、 一水合肼 作用下， 以 乙醇 、 苯 为溶剂， 反应 16.67h， 生成 2-(3-Amino-4-chloro-5-methoxy-phenyl)-1, 3-dioxolane
  参考文献：
  名称：

  Total synthesis of maytansinoids. Approach to 4,6-bisdemethylmaytansine and 4-demethylmaytansine

  摘要：

  A convergent strategy was elaborated to synthesize maytansine 1 and maytansinoids modified on the carbon skeleton, especially 4-demethylmaytansine 2, 6-demethylmaytansine 3, 4,6-bisdemethylmaytansine 4. In this paper, the feasibility of the project was verified by the preparation of key intermediates for the synthesis of 4, 6-bisdemethylmaytansine and 6-demethylmaytansine. The C-1-N open chain compound 18 in the 4,6-bisdemethyl series was obtained.

  DOI：

  10.1016/s0040-4020(01)88513-6
• 作为产物：
  描述：

  5-硝基香兰素 在 甲苯 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 生成 4-Chloro-3-methoxy-5-nitro-benzaldehyde
  参考文献：
  名称：

  双苄基异喹啉。第一部分。4-（2-氨基乙基）-5'-羧甲基-2：2'-二甲氧基二苯醚和苯氧基异喹啉的合成

  摘要：

  DOI：

  10.1039/jr9540003531

文献信息

• Studies on Pilocereine and Related Compounds. III. Synthesis of 2, 2', 3-Trimethoxydiphenyl Ether-4', 5- and -4', 6-dicarboxaldehyde.
  作者：Masao Tomita、Tohru Kikuchi、Kiyoshi Bessho、Toshio Hori、Yasuo Inubushi

  DOI：10.1248/cpb.11.1484

  日期：——

  As an important intermediate in the synthesis of Ib, several ways of preparing the dialdehyde (IX) were investigated and a considerable increase in total yield was achieved. Synthesis of XXXI, an intermediate in the synthesis of IIb, was also examined.

  作为合成Ib的重要中间体，我们研究了几种制备二醛（IX）的方法，并显著提高了总产率。同时，合成IIb的中间体XXXI也进行了研究。
• IMMUNOMODULATOR
  申请人：Hitgen Inc.

  公开号：EP3919488A1

  公开（公告）日：2021-12-08

  The present application discloses an immunomodulator, and specifically discloses a compound depicted by formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof. The compound provided in the present application can bind effectively to STING and has a good agonistic action on STING protein, and exhibits a good inhibitory effect on multiple tumors. Thus, the compound provided in the present application serves as a STING agonist and can be used for treating various related conditions. The compound provided in the present invention shows a very promising prospect for application thereof in the preparation of a medicament for treating a disease associated with STING activity (in particular, a medicament for treating an inflammatory disease, an allergic disease, an autoimmune disease, an infectious disease, a cancer or a precancerous syndrome) and in the preparation of an immune adjuvant, providing a novel option for clinically screening and/or preparing drugs for diseases associated with STING activity.

  本申请公开了一种免疫调节剂，具体公开了一种由式（I）描述的化合物，或其立体异构体，或其药学上可接受的盐。本申请提供的化合物能与 STING 有效结合，对 STING 蛋白有良好的激动作用，对多种肿瘤有良好的抑制作用。因此，本申请提供的化合物可作为 STING 激动剂，用于治疗各种相关疾病。本发明提供的化合物在制备治疗 STING 活性相关疾病的药物（尤其是治疗炎症性疾病、过敏性疾病、自身免疫性疾病、传染性疾病、癌症或癌前综合征的药物）和制备免疫佐剂方面具有非常广阔的应用前景，为临床筛选和/或制备治疗 STING 活性相关疾病的药物提供了一种新的选择。
• Bisbenzylisoquinolines. Part I. The synthesis of 4-(2-aminoethyl)-5′-carboxymethyl-2 : 2′-dimethoxydiphenyl ether and phenoxyisoquinolines
  作者：M. F. Grundon、H. J. H. Perry

  DOI：10.1039/jr9540003531

  日期：——
• Total synthesis of maytansinoids. Approach to 4,6-bisdemethylmaytansine and 4-demethylmaytansine
  作者：Michel Bénéchie、Bernard Delpech、Qui Khuong-Huu、Françoise Khuong-Huu

  DOI：10.1016/s0040-4020(01)88513-6

  日期：1992.1

  A convergent strategy was elaborated to synthesize maytansine 1 and maytansinoids modified on the carbon skeleton, especially 4-demethylmaytansine 2, 6-demethylmaytansine 3, 4,6-bisdemethylmaytansine 4. In this paper, the feasibility of the project was verified by the preparation of key intermediates for the synthesis of 4, 6-bisdemethylmaytansine and 6-demethylmaytansine. The C-1-N open chain compound 18 in the 4,6-bisdemethyl series was obtained.