2,2,3,3-四氟-2,3-二氢-1,4-苯并二氧杂环己烷 | 94767-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 中文名称: 2,2,3,3-四氟-2,3-二氢-1,4-苯并二氧杂环己烷
• 中文别名: 2,2,3,3-四氟-6-羟基苯并二噁烯；2,2,3,3-四氟-1,4-苯并二恶烷；2,2,3,3-四氟-1,4-苯并二烷
• 英文名称: 2,2,3,3-tetrafluoro-2,3-dihydro-1,4-benzodioxin
• 英文别名: 2,2,3,3-Tetrafluoro-1,4-benzodioxane；2,2,3,3-tetrafluorobenzodioxane；2,2,3,3-tetrafluoro-1,4-benzodioxine
• CAS: 94767-47-2
• 化学式: C₈H₄F₄O₂
• mdl: MFCD00236308
• 分子量: 208.112
• InChiKey: QLCDBPBUHSKXHY-UHFFFAOYSA-N

物化性质

• 沸点：
  152.8±40.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S23,S24/25
• 危险类别码：
  R36/37/38
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2,2,3,3-四氟-2,3-二氢-1,4-苯并二氧杂环己烷 生成 2,2,3,3-tetrafluoro-6,7-dinitro-1,4-benzodioxine
  参考文献：
  名称：

  MARHOLD, ALBRECHT

  摘要：

  DOI：
• 作为产物：
  描述：

  o-(2-bromo-tetrafluoroethoxy)-phenol 在 氢氧化钾 作用下， 以 环丁砜 、 甲醇 、 甲苯 为溶剂， 生成 2,2,3,3-四氟-2,3-二氢-1,4-苯并二氧杂环己烷
  参考文献：
  名称：

  Process for the preparation of 2,2,3,3-tetrafluoro-1,4-benzodioxanes,

  摘要：

  本发明涉及一种制备2,2,3,3-四氟-1,4-苯并二氧六环的方法，通过在酸性催化剂存在下环状缩合o-(2-溴-四氟乙氧基)-苯酚。

  公开号：

  US05936102A1

文献信息

• Substituted Chromanol Derivatives and Their Use
  申请人：Schmeck Carsten

  公开号：US20090306197A1

  公开（公告）日：2009-12-10

  The present invention relates to substituted chromanol derivatives, to processes for their preparation, to their use on their own or in combination for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of cardiovascular disorders.

  本发明涉及取代的克罗莫萘衍生物，其制备方法，单独或组合使用于治疗和/或预防疾病，以及用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病的药物。
• GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：US20140243349A1

  公开（公告）日：2014-08-28

  The present disclosure provides γ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本公开提供了激活Wnt/β-连环蛋白信号通路并因此治疗或预防与信号转导相关的疾病的γ-二酮或其类似物；这些疾病包括骨质疏松症和骨关节病；骨发育不全、骨缺陷、骨折、牙周病、耳硬化症、伤口愈合、颅颌面缺陷、溶骨性骨病、创伤性脑损伤或脊柱损伤、与中枢神经系统分化和发育相关的脑萎缩/神经系统疾病，包括帕金森病、中风、缺血性脑疾病、癫痫、阿尔茨海默病、抑郁症、躁郁症、精神分裂症；耳部疾病如耳蜗毛细胞丧失；眼部疾病如老年性黄斑变性、糖尿病性黄斑水肿或视网膜色素变性以及与干细胞分化和生长相关的疾病，如脱发、造血相关疾病和组织再生相关疾病。
• Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds
  申请人：Springer Joy Caroline

  公开号：US20080015191A1

  公开（公告）日：2008-01-17

  The present invention pertains to certain pyrazines and pyridines, and derivatives thereof, which, inter alia, inhibit RAF (e.g., B RAF) activity, inhibit cell proliferation, treat cancer, etc., and more particularly to compounds of the formulae: (I) wherein: Q is independently —N═ or —CH═; one of R P2 and R P3 is independently a group of the formula -J 1 -L 1 -Z; wherein: if Q is —N═, then -J 1 -L 1 -Z is independently: —NH-Z; —O-Z; or S-Z; if Q is —CH═, then -J 1 -L 1 -Z is independently: —NH—(CH 2 ) n -Z, wherein n is independently 0 or 1; —O-Z; or —S-Z; Z is independently: C 6-14 carboaryl, C 5-14 heteroaryl, C 3-12 carbocyclic, C 3-12 heterocyclic; and is independently unsubstituted or substituted; the other of R P2 and R P3 is independently —H, —NHR N1 , or —NHC(═O)R N2 ; wherein: R N1 , if present, is independently —H or aliphatic saturated C 1-4 alkyl; R N2 , if present, is independently —H or aliphatic saturated C 1-4 alkyl; one of R P5 and R P6 is independently a group of the formula —W—Y; wherein: W is independently: a covalent bond; —NR N4 —, —O—, —S—, —C(═O)—, —CH 2 —; —NR N4 —CH 2 —, —O—CH 2 —, —S—CH 2 —, —C(═O)—CH 2 —, —(CH 2 ) 2 —; —CH 2 —NR N4 —, —CH 2 —O—, —CH 2 —S—, or —CH 2 —C(═O)—; wherein R N4 , if present, is independently —H or aliphatic saturated C 1-4 alkyl; Y is independently: C 6-14 carboaryl, C 5-14 heteroaryl, C 3-12 carbocyclic, C 3-12 heterocyclic; and is independently unsubstituted or substituted; the other of R P5 and R P6 is independently —H; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, N-oxides, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, e.g., both in vitro and in vivo, to inhibit RAF (e.g., B-RAF) activity, to inhibit receptor tyrosine kinase (RTK) activity, to inhibit cell proliferation, and in the treatment of diseases and conditions that are ameliorated by the inhibition of RAF, RTK, etc., proliferative conditions such as cancer (e.g., colorectal cancer, melanoma), etc.

  本发明涉及某些吡嗪和吡啶以及它们的衍生物，其中，它们在抑制RAF（例如B-RAF）活性、抑制细胞增殖、治疗癌症等方面发挥作用，更具体地涉及以下式的化合物：（I）其中：Q独立地为—N═或—CH═；RP2和RP3中的一个独立地为以下式的基团-J1-L1-Z；其中：如果Q为—N═，则-J1-L1-Z独立地为：—NH-Z；—O-Z；或S-Z；如果Q为—CH═，则-J1-L1-Z独立地为：—NH—（CH2）n-Z，其中n独立地为0或1；—O-Z；或—S-Z；Z独立地为：C6-14碳芳基，C5-14杂芳基，C3-12碳环烷基，C3-12杂环烷基；并且独立地未取代或取代；RP2和RP3中的另一个独立地为—H，—NHRN1或—NHC(═O)RN2；其中：如果存在RN1，则独立地为—H或脂肪饱和的C1-4烷基；如果存在RN2，则独立地为—H或脂肪饱和的C1-4烷基；RP5和RP6中的一个独立地为以下式的基团—W—Y；其中：W独立地为：共价键；—NRN4—，—O—，—S—，—C(═O)—，—CH2—；—NRN4—CH2—，—O—CH2—，—S—CH2—，—C(═O)—CH2—，—(CH2)2—；—CH2—NRN4—，—CH2—O—，—CH2—S—，或—CH2—C(═O)—；其中如果存在RN4，则独立地为—H或脂肪饱和的C1-4烷基；Y独立地为：C6-14碳芳基，C5-14杂芳基，C3-12碳环烷基，C3-12杂环烷基；并且独立地未取代或取代；RP5和RP6中的另一个独立地为—H；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、N-氧化物、化学保护形式和前药。本发明还涉及包括这些化合物的药物组合物，以及使用这些化合物和组合物，例如在体内和体外，来抑制RAF（例如B-RAF）活性，抑制受体酪氨酸激酶（RTK）活性，抑制细胞增殖，并用于治疗因RAF、RTK等的抑制而得到改善的疾病和病况，如癌症（例如结直肠癌、黑色素瘤）等增生性疾病。
• Herbicidal benzodioxoles and benzodioxanes
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US05633218A1

  公开（公告）日：1997-05-27

  Compounds of Formula I, and their N-oxides and agriculturally-suitable salts, are disclosed which are useful for controlling undesired vegetation ##STR1## wherein: ##STR2## T is O or S; W is a single bond, O, S or NR.sup.6 ; X is N or CH; Y is N or CH; Z is N or CR.sup.7 provided that when Z is CR.sup.7, then Y is N; R.sup.6 is H, CH.sub.3 or OCH.sub.3 ; m is 1 or 2; and R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, and R.sup.7 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling undesired vegetation which involves contacting the vegetation or its environment with an effective amount of a compound of Formula I.

  公式I的化合物及其N-氧化物和农业适用的盐被披露，用于控制不受欢迎的植被。其中：T为O或S；W为单键，O，S或NR.sup.6；X为N或CH；Y为N或CH；Z为N或CR.sup.7，但当Z为CR.sup.7时，Y为N；R.sup.6为H，CH.sub.3或OCH.sub.3；m为1或2；R.sup.1，R.sup.2，R.sup.3，R.sup.4，R.sup.5和R.sup.7如披露中所定义。还披露了含有公式I化合物的组合物以及一种控制不受欢迎的植被的方法，涉及将植被或其环境与公式I化合物的有效量接触。
• [EN] FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE<br/>[FR] COMPOSITION FONGICIDE CONTENANT UN DÉRIVÉ D'AMIDE D'ACIDE
  申请人：ISHIHARA SANGYO KAISHA

  公开号：WO2006016708A1

  公开（公告）日：2006-02-16

  Conventional many fungicidal compositions have had practical problems such that either a preventive effect or a curing effect is inadequate, the residual effect tends to be inadequate, or the controlling effect against plant diseases tends to be inadequate depending upon the application site, and a fungicidal composition to overcome such problems has been desired. The present invention provides a fungicidal composition containing an acid amide derivative of the formula (I) or a salt thereof, as an active ingredient: wherein A is phenyl which may be substituted, benzyl which may be substituted, naphthyl which may be substituted, heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or the like; B is heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or naphthyl which may be substituted; each of R1 and R2 which are independent of each other, is alkyl, or the like; R3 is hydrogen, or the like; each of W1 and W2 which are independent of each other, is oxygen or sulfur.

  传统的许多杀真菌组合物存在实际问题，例如预防效果或治疗效果不足，残留效果往往不足，或者根据应用场所，控制植物病害的效果往往不足，因此需要一种能够克服这些问题的杀真菌组合物。本发明提供了一种含有式(I)的酸酰胺衍生物或其盐的杀真菌组合物作为活性成分：其中A是苯基，可能被取代，苄基，可能被取代，萘基，可能被取代，杂环环，可能被取代，融合的杂环环，可能被取代，或类似物；B是可能被取代的杂环环，融合的可能被取代的杂环环，或可能被取代的萘基；R1和R2各自独立的，是烷基，或类似物；R3是氢，或类似物；W1和W2各自独立的，是氧或硫。