3-(氯甲基)-2,6-二甲基苯甲酸 | 179554-33-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(氯甲基)-2,6-二甲基苯甲酸
• 英文名称: 2,6-dimethyl-3-(chloromethyl)benzoic acid
• 英文别名: 3-chloromethyl-2,6-dimethyl-benzoic acid；3-Chlormethyl-2,6-dimethyl-benzoesaeure；3-(chloromethyl)-2,6-dimethylbenzoic acid
• CAS: 179554-33-7
• 化学式: C₁₀H₁₁ClO₂
• mdl: MFCD09032020
• 分子量: 198.649
• InChiKey: MZNSTSYKTYQZCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(氯甲基)-2,6-二甲基苯甲酸 在 sodium hydroxide 作用下， 生成 3-hydroxymethyl-2,6-dimethyl-benzoic acid
  参考文献：
  名称：

  van der Meer; Veldstra, Recueil des Travaux Chimiques des Pays-Bas, 1955, vol. 74, p. 1269,1275

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 2,6-二甲基苯甲酸 在 盐酸 、 溶剂黄146 作用下， 生成 3-(氯甲基)-2,6-二甲基苯甲酸
  参考文献：
  名称：

  van der Meer; Veldstra, Recueil des Travaux Chimiques des Pays-Bas, 1955, vol. 74, p. 1269,1275

  摘要：

  DOI：

文献信息

• Evaluation of the NO-releasing properties of NO-donor linkers
  作者：Vincenzo Calderone、Maria Digiacomo、Alma Martelli、Filippo Minutolo、Simona Rapposelli、Lara Testai、Aldo Balsamo

  DOI：10.1211/jpp.60.2.0007

  日期：2010.2.18

  This work describes the synthesis of some benzoic (1–4) and alcoholic (5–7) nitrooxy derivatives, which are nitric oxide (NO) donors in themselves, and can also be seen as useful linkers that can be used in multi-target drugs capable of releasing NO. The NO-mediated vasorelaxing effects of the compounds were tested on endothelium-denuded isolated rat aortic rings pre-contracted with KCl. The pharmacological study of these compounds demonstrated that slight structural modification, such as the insertion of (a) methyl group(s) into the nitrooxymethyl chain or into the aromatic ring, and a change in the position of this nitrooxymethyl chain, could exert a marked (and potentially useful) influence on the NO releasing properties.

  这项工作描述了一些苯甲酸（1-4）和醇类（5-7）亚硝基衍生物的合成，它们本身是一氧化氮（NO）供体，也可以被视为可用于释放NO的多靶药物中的有用连接物。这些化合物的NO介导的血管舒张作用在用KCl预收缩的去内皮离体大鼠主动脉环上进行了测试。对这些化合物的药理学研究表明，轻微的结构修饰，如将（一）甲基基团插入亚硝基甲基链或芳香环中，以及改变这个亚硝基甲基链的位置，可能会对NO释放性能产生显著（且潜在有用）的影响。
• Visible-light photoinitiators and uses thereof
  申请人：Novartis AG

  公开号：US10324311B2

  公开（公告）日：2019-06-18

  Described herein are acyl germanium photoinitiator for cost-effective and time-efficient method for producing UV-absorbing contact lenses capable of blocking ultra-violet (“UV”) radiation and optionally (but preferably) violet radiation with wavelengths from 380 nm to 440 nm, thereby protecting eyes to some extent from damages caused by UV radiation and potentially from violet radiation. This invention also provides a method for making UV-absorbing contact lenses made by using an acyl germanium photoinitiator of the invention.

  本发明所描述的酰基锗光引发剂用于生产具有成本效益和时间效率的紫外线吸收隐形眼镜的方法，该隐形眼镜能够阻挡紫外线（"UV"）辐射和波长为 380 纳米至 440 纳米的可选（但优选）紫外线辐射，从而在一定程度上保护眼睛免受紫外线辐射和潜在紫外线辐射的伤害。本发明还提供了一种使用本发明的酰基锗光引发剂制造紫外线吸收隐形眼镜的方法。
• New NO-Releasing Pharmacodynamic Hybrids of Losartan and Its Active Metabolite:  Design, Synthesis, and Biopharmacological Properties
  作者：Maria C. Breschi、Vincenzo Calderone、Maria Digiacomo、Marco Macchia、Alma Martelli、Enrica Martinotti、Filippo Minutolo、Simona Rapposelli、Armando Rossello、Lara Testai、Aldo Balsamo

  DOI：10.1021/jm0600186

  日期：2006.4.1

  in a preliminary work, we reported two NO-sartans, possessing the characteristics of an AT, antagonist and a "slow NO donor", obtained by adding NO-donor side chains to losartan 1. The NO release from an NO-sartan should be modulated in order to strengthen the antihypertensive activity of the native drug and to ensure additional effects, such as the antiplatelet and anti-ischemic ones. To obtain a collection of prototypical NO-sartans, showing different rates of NO release, new NO-donor moieties have been linked to 1 or its active metabolite 2 (EXP 3174). Almost all the synthesized compounds exhibited both AT(1)-antagonist and NO-mediated vasorelaxing properties, with a wide range of NO-releasing rates. Further pharmacological investigation on compound 4a showed that it possessed anti hypertensive and cardiac antihypertrophic effects similar to those of the reference AT(1)-blocking or ACE-inhibiting drugs. Furthermore, the additional anti-ischemic cardio-protective properties and antiplatelet effects of 4a have been preliminarily investigated.
• IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0797575A1

  公开（公告）日：1997-10-01
• VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF
  申请人：Alcon Inc.

  公开号：EP3303415B1

  公开（公告）日：2022-12-28