2-(Fluoromethyl)benzoic acid | 1378842-38-6

• 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: 2-(Fluoromethyl)benzoic acid
• CAS: 1378842-38-6
• 化学式: C₈H₇FO₂
• 分子量: 154.14
• InChiKey: ODZRWXLKQLEWTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对溴甲基苯甲酸 、 4-溴甲基苯甲酸叔丁酯 、 异丁烯 、 氨 、 、 四丁基氟化铵 在 t-butyl ester 、 三氟乙酸 作用下， 以 硫酸 、 乙腈 为溶剂， 反应 0.17h， 以The product, α-fluorotoluic acid, was obtained as a white solid, melting at 178°-181°的产率得到2-(Fluoromethyl)benzoic acid
  参考文献：
  名称：

  Process for introducing fluorine into biologically active materials

  摘要：

  放射性氟可以很容易地引入到含有氨基的生物活性分子中。将p-溴甲基苯甲酰基团耦合到生物活性分子的氨基上，然后氟取代溴。或者，首先用氟取代溴甲基苯甲酰基团上的溴，然后将氟甲基苯甲酰基团耦合到生物活性分子的氨基上。这样产生的化合物在诊断核医学中很有用。

  公开号：

  US05098996A1

文献信息

• Phenylaminopyrimidine derivatives and methods of use
  申请人：——

  公开号：US20040224967A1

  公开（公告）日：2004-11-11

  The present invention relates to phenylaminopyrimidine derivatives, processes for their preparation, pharmaceutical compositions containing them as active ingredient, methods for the treatment of disease states such as cancers associated with tyrosine kinases, especially Bcr-Abl, to their use as medicaments and to their use in the manufacture of medicaments for use in the production of inhibition of tyrosine kinase reducing effects in warm-blooded animals such as humans.

  本发明涉及苯基氨基嘧啶衍生物，其制备方法，含有它们作为活性成分的药物组合物，用于治疗与酪氨酸激酶相关的癌症等疾病状态的方法，特别是Bcr-Abl，以及它们作为药物的用途，以及它们在制造用于在温血动物（如人类）中产生酪氨酸激酶抑制效果的药物的用途。
• Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof
  申请人：Gao Mingzhi

  公开号：US20050239636A1

  公开（公告）日：2005-10-27

  The present invention provides a solid catalyst component for the polymerization of olefins, comprising magnesium, titanium, a halogen and an electron donor, wherein said electron donor comprises at least one selected from the group consisting of polyol ester compounds of the formula (I): R 1 CO—O—CR 3 R 4 -A-CR 5 R 6 —O—CO—R 2 (I) wherein, R 1 and R 2 groups, which may be identical or different, can be substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 3 -R 6 groups, which may be identical or different, can be selected from the group consisting of hydrogen, halogen or substituted or unsubstituted hydrocarbyl having 1 to 20 carbon atoms, R 1 -R 6 groups optionally contain one or more hetero-atoms replacing carbon, hydrogen atom or the both, said hetero-atom is selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus and halogen atom, two or more of R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring; A is a single bond or bivalent linking group with chain length between two free radicals being 1-10 atoms, wherein said bivalent linking group is selected from the group consisting of aliphatic, alicyclic and aromatic bivalent radicals, and can carry C 1 -C 20 linear or branched substituents; one or more of carbon atom and/or hydrogen atom on above-mentioned bivalent linking group and substituents can be replaced by a hetero-atom selected from the group consisting of nitrogen, oxygen, sulfur, silicon, phosphorus, and halogen atom, and two or more said substituents on the linking group as well as above-mentioned R 3 -R 6 groups can be linked to form saturated or unsaturated monocyclic or polycyclic ring.

  本发明提供了一种用于烯烃聚合的固体催化剂组分，包括镁、钛、卤素和电子给体，其中所述电子给体包括以下至少一种选择自聚醇酯化合物组的化合物（I）：R1CO—O—CR3R4-A-CR5R6—O—CO—R2（I）其中，R1和R2基团可以相同或不同，可以是取代或未取代的1至20个碳原子的烃基，R3-R6基团可以相同或不同，可以选择自氢、卤素或取代或未取代的1至20个碳原子的烃基的群组中，R1-R6基团可以选用一个或多个杂原子代替碳、氢原子或两者，所述杂原子选择自氮、氧、硫、硅、磷和卤素原子的群组，R3-R6基团中的两个或更多个可以连接形成饱和或不饱和的单环或多环环；A是单键或双价连接基团，链长在两个自由基之间为1-10个原子，其中所述双价连接基团选自脂肪族、环脂族和芳香族双价基团的群组，可以携带C1-C20线性或支链取代基；上述双价连接基团和取代基上的一个或多个碳原子和/或氢原子可以被选择自氮、氧、硫、硅、磷和卤素原子的群组中的杂原子取代，两个或更多所述取代基在连接基团上以及上述R3-R6基团中可以连接形成饱和或不饱和的单环或多环环。
• Boron-Containing Diacylhydrazines
  申请人：Intrexon Corporation

  公开号：US20150322092A1

  公开（公告）日：2015-11-12

  The present disclosure provides boron-containing diacylhydrazines having Formula I: and the pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , R 3 , R 4 , and R 5 are defined as set forth in the specification. The present disclosure also provides the use of boron-containing diacylhydrazines is ecdysone receptor-based inducible gene expression systems. Thus, the present disclosure is useful for applications such as gene therapy, treatment of disease, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable.

  本公开提供具有I式的含硼二酰肼化合物及其药学上可接受的盐和溶剂化物，其中R1、R2、R3、R4和R5的定义如规范中所述。本公开还提供了使用含硼二酰肼化合物的ecdysone受体基础的诱导基因表达系统。因此，本公开适用于基因治疗、疾病治疗、大规模生产蛋白质和抗体、基于细胞的筛选测定、功能基因组学、蛋白质组学、代谢组学和调控转基因生物的特征等应用，其中需要控制基因表达水平。
• CROP-SELECTIVE HERBICIDAL SULFONAMIDES
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0523067A1

  公开（公告）日：1993-01-20
• ELECTRONICALLY TUNED LIGANDS
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：EP1218388A1

  公开（公告）日：2002-07-03