1,2-dichloro-3-ethoxybenzene | 92514-07-3

• 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: 1,2-dichloro-3-ethoxybenzene
• 英文别名: 2,3-dichloro-1-ethoxybenzene；2,3-dichlorophenetole
• CAS: 92514-07-3
• 化学式: C₈H₈Cl₂O
• mdl: MFCD25969067
• 分子量: 191.057
• InChiKey: AZEDTVCUFIKLGR-UHFFFAOYSA-N

物化性质

• 沸点：
  241.5±20.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,2-dichloro-3-ethoxybenzene 在 硝酸 作用下， 以 various solvent(s) 为溶剂， 生成 2-chloro-3-ethoxy-6-nitrobenzonitrile
  参考文献：
  名称：

  Selective Inhibitors of Candida albicans Dihydrofolate Reductase: Activity and Selectivity of 5-(Arylthio)-2,4-diaminoquinazolines

  摘要：

  The recent increase in fungal infections, especially among AIDS patients, has resulted in the need for more effective antifungal agents. In our search for such agents, we focused on developing compounds which inhibit fungal dihydrofolate reductase (DHFR). A series of 25 5-(arylthio)-2,4-diaminoquinazolines were synthesized as potentially selective inhibitors of Candida albicans DHFR. The majority of the compounds were potent inhibitors of C. albicans DHFR and much less active against human DHFR. High selectivity, as defined by the ratio of the I-50 values for human and C. albicans DHFR, was achieved by compounds with bulky and rigid 4-substituents in the phenylthio moiety. For example, 5-[(4-morpholinophenyl)thio]-2,4-diaminoquinazoline displayed a selectivity ratio of 540 and was the most selective inhibitor synthesized to date. Substitution in the 2- or 3-position of the 5-phenylthio group provided only marginal selectivity. 6-Substituted-5-[(4-tert-butylphenyl)thio]-2,4-diaminoquinazolines showed potent activity against the C. albicans enzyme but were equally active against human DHFR. Most of the selective compounds were also good inhibitors of C. albicans cell growth, with minimum inhibitory concentration values as low as 0.05 mu g/mL.

  DOI：

  10.1021/jm00018a021
• 作为产物：
  描述：

  二氯-苯酚 、 碘乙烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 7.0h， 以95%的产率得到1,2-dichloro-3-ethoxybenzene
  参考文献：
  名称：

  Selective Inhibitors of Candida albicans Dihydrofolate Reductase: Activity and Selectivity of 5-(Arylthio)-2,4-diaminoquinazolines

  摘要：

  The recent increase in fungal infections, especially among AIDS patients, has resulted in the need for more effective antifungal agents. In our search for such agents, we focused on developing compounds which inhibit fungal dihydrofolate reductase (DHFR). A series of 25 5-(arylthio)-2,4-diaminoquinazolines were synthesized as potentially selective inhibitors of Candida albicans DHFR. The majority of the compounds were potent inhibitors of C. albicans DHFR and much less active against human DHFR. High selectivity, as defined by the ratio of the I-50 values for human and C. albicans DHFR, was achieved by compounds with bulky and rigid 4-substituents in the phenylthio moiety. For example, 5-[(4-morpholinophenyl)thio]-2,4-diaminoquinazoline displayed a selectivity ratio of 540 and was the most selective inhibitor synthesized to date. Substitution in the 2- or 3-position of the 5-phenylthio group provided only marginal selectivity. 6-Substituted-5-[(4-tert-butylphenyl)thio]-2,4-diaminoquinazolines showed potent activity against the C. albicans enzyme but were equally active against human DHFR. Most of the selective compounds were also good inhibitors of C. albicans cell growth, with minimum inhibitory concentration values as low as 0.05 mu g/mL.

  DOI：

  10.1021/jm00018a021

文献信息

• Benzisoxazole carboxylic acids
  申请人：Abbott Laboratories

  公开号：US04456612A1

  公开（公告）日：1984-06-26

  Described are compounds of the formula ##STR1## wherein X is hydrogen, loweralkyl, halo, loweralkoxy or trifluoromethyl, and Z is hydrogen, loweralkyl, halo, hydroxy or alkoxy, or compounds of the formula ##STR2## wherein X' and Y' may be the same or different and are selected from hydrogen, loweralkyl, or halo, and Z' is hydrogen, loweralkyl, halo, hydroxy or loweralkoxy, or pharmaceutically acceptable salts thereof. The compounds possess diuretic activity.

  描述的化合物公式为##STR1##其中X是氢、较低烷基、卤素、较低烷氧基或三氟甲基，Z是氢、较低烷基、卤素、羟基或烷氧基，或者公式为##STR2##的化合物，其中X'和Y'可以相同也可以不同，选择自氢、较低烷基或卤素，Z'是氢、较低烷基、卤素、羟基或较低烷氧基，或其药用可接受盐。这些化合物具有利尿活性。
• Hydroxyaminomethyl derivatives of benzoyl di-substituted
  申请人：Abbott Laboratories

  公开号：US04323691A1

  公开（公告）日：1982-04-06

  Described are compounds of the formula ##STR1## wherein ##STR2## wherein Z is hydrogen or loweralkyl, R.sub.5 and R.sub.6 may be the same or different and are hydrogen, loweralkyl or together are alkylene of 4 or 5 carbon atoms, R.sub.2 is hydrogen, halo, haloloweralkyl, loweralkyl, loweralkoxy, loweralkylthio or ##STR3## wherein R.sub.5 and R.sub.6 are previously defined, R.sub.3 is hydroxy, alkoxy, branched alkoxy, adamantyloxy, morpholino, amino or amino substituted by loweralkyl or alkylene of 4 or 5 carbon atoms, R.sub.4 is hydrogen or loweralkyl, and X.sub.1 and X.sub.2 are hydrogen, loweralkyl, halo or when substituted on adjacent carbon atoms of the benzene ring form a 1,3-butadienylene linkage, Y is oxygen or sulfur, and pharmaceutically acceptable salts thereof. The compounds are effective as diuretic agents in increasing urinary excretion.

  描述了具有以下式子的化合物：##STR1## 其中 ##STR2## 其中Z是氢或低碳烷基，R.sub.5和R.sub.6可以相同或不同，是氢、低碳烷基或一起是4或5个碳原子的烷基，R.sub.2是氢、卤素、卤代低碳烷基、低碳烷基、低碳氧基、低碳硫基或##STR3## 其中R.sub.5和R.sub.6如上定义，R.sub.3是羟基、烷氧基、支链烷氧基、金刚烷氧基、吗啉基、氨基或被低碳烷基或4或5个碳原子的烷基取代的氨基，R.sub.4是氢或低碳烷基，X.sub.1和X.sub.2是氢、低碳烷基、卤素或当取代苯环上相邻的碳原子时形成1,3-丁二烯基链的卤代低碳烷基，Y是氧或硫，以及其药学上可接受的盐。这些化合物在增加尿排泄方面作为利尿剂具有有效性。
• 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT
  申请人：TANI Kousuke

  公开号：US20090042885A1

  公开（公告）日：2009-02-12

  An 8-azaprostaglandin represented by formula (I) (wherein all symbols have the same meanings as described in the specification), a pharmaceutically acceptable salt thereof or a cyclodextrin clathrate thereof. Since the compound represented by formula (I) binds to EP2 subtype among PGE receptor strongly, it is useful for preventive and/or treatment for immune diseases, allergic diseases, neuronal cell death, dysmenorrhea, premature birth, abortion, baldness, retinal neuropathy such as glaucoma, erectile dysfunction, arthritis, pulmonary injury, pulmonary fibrosis, pulmonary emphysema, bronchitis, chronic obstructive pulmonary disease, hepatic injury, acute hepatitis, liver cirrhosis, shock, nephritis, renal failure, circulatory diseases, systemic inflammatory response syndrome, sepsis, hemophagocytosis syndrome, macrophage activation syndrome, still disease, Kawasaki Disease, burn, systemic granuloma, ulcerative colitis, Crohn disease, hypercytokinemia at dialysis, multiple organ failure, or bone diseases etc.

  式（I）所表示的8-氮代前列腺素化合物（其中所有符号的含义与说明书中描述的相同），其药学上可接受的盐或环糊精包合物。由于式（I）所表示的化合物强烈结合到PGE受体中的EP2亚型，因此它对预防和/或治疗免疫性疾病、过敏性疾病、神经元细胞死亡、痛经、早产、流产、脱发、青光眼等视网膜神经病变、勃起功能障碍、关节炎、肺损伤、肺纤维化、肺气肿、支气管炎、慢性阻塞性肺疾病、肝损伤、急性肝炎、肝硬化、休克、肾炎、肾衰竭、循环系统疾病、全身炎症反应综合征、败血症、吞噬细胞综合征、巨噬细胞活化综合征、斯蒂尔病、川崎病、烧伤、全身性肉芽肿、溃疡性结肠炎、克罗恩病、透析时的高细胞因子血症、多器官功能障碍或骨疾病等方面具有用处。
• ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL
  申请人：Ihara Hideki

  公开号：US20100137372A1

  公开（公告）日：2010-06-03

  An isoxazoline compound represented by the formula (I): wherein the substituents are as defined in the description, has controlling activity against pests.

  一种异噁唑啉化合物，其化学式表示为（I）：其中取代基如描述中定义的那样，具有对害虫的控制活性。
• Isoxazoline Compounds and their Use in Pest Control
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2311816A1

  公开（公告）日：2011-04-20

  The present invention relates to an isoxazoline compound represented by the formula (1); wherein the substituents are as defined in the description, which has a controlling activity against pests.

  本发明涉及一种由式（1）表示的异噁唑啉化合物； 其中的取代基如描述中所定义，该化合物具有防治害虫的活性。