3,5-双氯甲基-4-甲基苯甲酸 | 37908-90-0

• 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: 3,5-双氯甲基-4-甲基苯甲酸
• 英文名称: 3,5-bis(chloromethyl)-4-methylbenzoic acid
• 英文别名: 3,5-Bis-(chlormethyl)-p-tolylsaeure；3,5-Bis-chloromethyl-4-methyl-benzoic acid
• CAS: 37908-90-0
• 化学式: C₁₀H₁₀Cl₂O₂
• mdl: MFCD03957586
• 分子量: 233.094
• InChiKey: JTSSWUSQLDYRTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  3
• 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

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  3,5-双氯甲基-4-甲基苯甲酸 、 苯硫酚 在 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 以97%的产率得到4-methyl-3,5-bis(phenylsulfanylmethyl)benzoic acid
  参考文献：
  名称：

  Dendro-shaped blocks with arylsulfanyl fragments based on p-toluic acid

  摘要：

  Chloromethylation of p-toluic acid affords 3,5-bis(chloromethyl)-4-methylbenzoic acid whose subsequent treatment with arenethiols brings about spacer dendrimeric blocks containing polyfluoroarylsulfanyl fragments in a total yield of 60-75%.

  DOI：

  10.1016/j.mencom.2018.07.035
• 作为产物：
  描述：

  在 硫酸 、 水 作用下， 生成 3,5-双氯甲基-4-甲基苯甲酸
  参考文献：
  名称：

  Dendro-shaped blocks with arylsulfanyl fragments based on p-toluic acid

  摘要：

  Chloromethylation of p-toluic acid affords 3,5-bis(chloromethyl)-4-methylbenzoic acid whose subsequent treatment with arenethiols brings about spacer dendrimeric blocks containing polyfluoroarylsulfanyl fragments in a total yield of 60-75%.

  DOI：

  10.1016/j.mencom.2018.07.035

文献信息

• An antimicrobial bicyclic peptide from chemical space against multidrug resistant Gram-negative bacteria
  作者：Ivan Di Bonaventura、Stéphane Baeriswyl、Alice Capecchi、Bee-Ha Gan、Xian Jin、Thissa N. Siriwardena、Runze He、Thilo Köhler、Arianna Pompilio、Giovanni Di Bonaventura、Christian van Delden、Sacha Javor、Jean-Louis Reymond

  DOI：10.1039/c8cc02412j

  日期：——

  the concept of chemical space to explore a virtual library of bicyclic peptides formed by double thioether cyclization of a precursor linear peptide, and identified an antimicrobial bicyclic peptide (AMBP) with remarkable activity against several MDR strains of Acinetobacter baumannii and Pseudomonas aeruginosa.

  我们使用化学空间的概念探索了由前体线性肽的双硫醚环化形成的双环肽的虚拟文库，并鉴定了对双歧杆菌鲍曼不动杆菌和铜绿假单胞菌具有显着活性的抗菌双环肽（AMBP）。
• 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。
• VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF
  申请人：Alcon Inc.

  公开号：EP3303415B1

  公开（公告）日：2022-12-28
• [EN] METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES<br/>[FR] PROCEDE DE FABRICATION DE CHLORURES D'ACIDES DIHALO AROMATIQUES SUBSTITUES
  申请人：OCCIDENTAL CHEM CO

  公开号：WO2001083420A2

  公开（公告）日：2001-11-08

  A three-step method of making a substituted dihalo aromatic acid chloride is disclosed. A substituted aromatic compound having the general formula is halogenated to produce a mixture of corresponding dihalo and trihalo aromatic compounds, where R is COOH or COOR', R' is alkyl from C1 to C6, each R1 is independently selected from alkyl or alkoxy from C1 to C6 with no more than a single R1 group in the ortho position, and n is 1 or 2. Ortho halogens are selectively dehalogenated to produce the corresponding monohalo and dihalo aromatic compounds. The dihalo aromatic compound is converted into the corresponding acid chloride.
• [EN] VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF<br/>[FR] PHOTO-INITIATEURS DE LA LUMIÈRE VISIBLE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2016193912A1

  公开（公告）日：2016-12-08

  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.