1,2-二氟-3-乙烯基苯 | 1080636-91-4

• 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: 1,2-二氟-3-乙烯基苯
• 英文名称: 2,3-difluorostyrene
• 英文别名: 1-ethenyl-2,3-difluorobenzene
• CAS: 1080636-91-4
• 化学式: C₈H₆F₂
• 分子量: 140.132
• InChiKey: UVROHYVJFZYNPF-UHFFFAOYSA-N

物化性质

• 沸点：
  146.5±20.0 °C(Predicted)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3S,4S)-3-[(dimethylamino)methyl]-3,4-dihydro-1H-isochromen-4-ol 、 1,2-二氟-3-乙烯基苯 在 sodium hydride 作用下， 反应 16.0h， 生成 1-[(3S,4S)-4-(2-ethenyl-6-fluorophenoxy)-3,4-dihydro-1H-isochromen-3-yl]-N,N-dimethylmethanamine
  参考文献：
  名称：

  Synthesis and structure–activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with a heterocyclic ring constraint

  摘要：

  The design, synthesis and SAR of a series of heterocyclic ring-constrained norepinephrine reuptake inhibitors are described. As racemates, the best compounds compare favorably with atomoxetine (IC50's < 10 nM) in potency at the transporter. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.050
• 作为产物：
  描述：

  2,3-二氟苯甲醛 、 甲基三苯基溴化膦 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 1,2-二氟-3-乙烯基苯
  参考文献：
  名称：

  Selective 5-Hydroxytryptamine 2C Receptor Agonists Derived from the Lead Compound Tranylcypromine: Identification of Drugs with Antidepressant-Like Action

  摘要：

  We report here the design, synthesis, and pharmacological properties of a series of compounds related to tranylcypromine (9), which itself was discovered as a lead compound in a high-throughput screening campaign. Starting from 9, which shows modest activity as a 5-HT2C agonist, a series of 1-aminomethyl-2-phenylcyclopropanes was investigated as 5-HT2C agonists through iterative structural modifications. Key pharmacophore feature of this new class of ligands is a 2-aminomethyl-trans-cyclopropyl side chain attached to a substituted benzene ring. Among the tested compounds, several were potent and efficacious 5-HT2C receptor agonists with selectivity over both 5-HT2A and 5-HT2B receptors in functional assays. The most promising compound is 37, with 120- and 14-fold selectivity over 5-HT2A and 5-HT2B, respectively (EC50 = 585, 65, and 4.8 nM at the 2A, 2B, and 2C subtypes, respectively). In animal studies, compound 37 (10-60 mg/kg) decreased immobility time in the mouse forced swim test.

  DOI：

  10.1021/jm801354e

文献信息

• 6-Membered heterocyclic compound and use thereof
  申请人：Shoda Motoshi

  公开号：US20070060590A1

  公开（公告）日：2007-03-15

  A compound represented by the general formula (I) or a salt thereof: [T represents oxygen atom and the like; V represents CH 2 and the like; R O1 to R O4 represent hydrogen atom and the like; A represents a linear alkylene group or linear alkenylene group having 2 to 8 carbon atoms and the like; D represents carboxyl group and the like; X represents ethylene group, trimethylene group and the like; E represents —CH(OH)— group and the like; and W represent —U 1 —(R W1 )(R W2 )—U 2 —U 3 group (U 1 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; R W1 and R W2 represent hydrogen atom and the like; U 2 represents a single bond, an alkylene group having 1 to 4 carbon atoms and the like; and U 3 represent an alkyl group having 1 to 8 carbon atoms and the like), or a residue of a carbon ring or heterocyclic compound], which can be utilized as an active ingredient of medicaments effective for prophylactic and/or therapeutic treatment of skeletal diseases such as osteoporosis and fracture, glaucoma, ulcerative colitis and the like.

  由通用公式(I)表示的化合物或其盐： [T代表氧原子等；V代表CH2等；RO1至RO4代表氢原子等；A代表具有2至8个碳原子的线型亚烷基或线型亚烯基等；D代表羧基等；X代表亚乙基、亚丙基等；E代表—CH(OH)—基团等；W代表—U1—(RW1)(RW2)—U2—U3基团（U1代表单键、具有1至4个碳原子的亚烷基等；RW1和RW2代表氢原子等；U2代表单键、具有1至4个碳原子的亚烷基等；U3代表具有1至8个碳原子的烷基等），或碳环或杂环化合物的残基]，其可作为预防性和/或治疗性药物的有效成分，用于治疗骨骼疾病如骨质疏松症和骨折、青光眼、溃疡性结肠炎等。
• [EN] SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS<br/>[FR] TÉTRAHYDROFURANES SUBSTITUÉS EN TANT QUE MODULATEURS DE CANAUX SODIQUES
  申请人：VERTEX PHARMA

  公开号：WO2021113627A1

  公开（公告）日：2021-06-10

  Compounds, and pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels are provided. Also provided are pharmaceutical compositions comprising the compounds or pharmaceutically acceptable salts and methods of using the compounds, pharmaceutically acceptable salts, and pharmaceutical compositions in the treatment of various disorders, including pain.

  提供了作为钠通道抑制剂的化合物及其药用盐。还提供了包含这些化合物或药用盐的药物组合物，以及使用这些化合物、药用盐和药物组合物治疗各种疾病，包括疼痛的方法。
• Bridged carbocyclic compounds and methods of making and using same
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP1505050A1

  公开（公告）日：2005-02-09

  Disclosed herein is a fluorinated bridged carbocyclic compound that can be polymerized by itself or with at least one other ethylenically unsaturated monomer to provide a polymer. The polymer may be used, for example, within a sub-300 nm photoresist composition. Also disclosed is a method to make the bridged carbocyclic compound.

  本文披露了一种氟化的桥联碳环化合物，可以单独聚合或与至少一种其他乙烯基不饱和单体一起聚合以提供聚合物。该聚合物可以用于例如在低于300纳米的光刻胶组合物中。还披露了一种制备桥联碳环化合物的方法。
• POLYMERIZABLE MONOMER, POLYMER COMPOUND FOR CONDUCTIVE POLYMER, AND METHOD FOR PRODUCING THE POLYMER COMPOUND
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US20200247926A1

  公开（公告）日：2020-08-06

  Polymerization reaction is performed using a polymerizable monomer shown by the following general formula (1) and at least one monomer selected from monomers each having a structure of a salt among a lithium salt, a sodium salt, a potassium salt, and a nitrogen compound salt of a fluorosulfonic acid or the like; then, the structure of the salt of the repeating unit of a polymer obtained by the polymerization reaction is changed to the fluorosulfonic acid or the like by ion exchange. Thus, the present invention provides a polymer compound for a conductive polymer and a method for producing the polymer compound which is suitably used as a dopant for a fuel cell and a conductive material, and which is a copolymer containing a repeating unit of styrene having a 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylisobutyl ether group, and a repeating unit having any of a fluorosulfonic acid, a fluorosulfonimide group, and a n-carbonyl-fluoro-sulfonamide group.

  聚合反应使用以下一般式（1）所示的可聚合单体和至少一种选择自锂盐、钠盐、钾盐和氟磺酸盐等盐结构的单体中的单体进行；然后，通过离子交换将聚合反应得到的聚合物的重复单元的盐结构改变为氟磺酸盐或类似物。因此，本发明提供了一种用作导电聚合物的聚合物化合物以及用作燃料电池和导电材料的掺杂剂的聚合物化合物的生产方法，该聚合物是含有3,3,3-三氟-2-羟基-2-三氟甲基异丁基醚基的苯乙烯重复单元和具有氟磺酸、氟磺酰亚胺基团和n-羰基-氟磺酰胺基团中的任何一种的重复单元的共聚物。
• OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME
  申请人：Kim Joo-kyung

  公开号：US20100279871A1

  公开（公告）日：2010-11-04

  The present invention relates to an optically active (R)-aryloxypropionic acid amide compound which has high selectivity and safety for protecting a crop such as rice, wheat, barley and soy bean, and exhibits excellent herbicidal activity against weeds, and a herbicidal composition comprising the same.

  本发明涉及一种具有高选择性和安全性的光学活性(R)-芳氧丙酸酰胺化合物，用于保护水稻、小麦、大麦和黄豆等作物，并对杂草表现出优异的除草活性，以及含有该化合物的除草组合物。