1-甲基-2-(3-甲基苯氧基)苯 | 66658-61-5

• 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-甲基-2-(3-甲基苯氧基)苯
• 英文名称: 1-methyl-2-(m-tolyloxy)benzene
• 英文别名: m-tolyl-o-tolyl ether；m-Tolyl-o-tolyl-aether；2,3'-dimethyldiphenyl ether；2,3'-ditolyl ether；Benzene, 1-methyl-2-(3-methylphenoxy)-；1-methyl-2-(3-methylphenoxy)benzene
• CAS: 66658-61-5
• 化学式: C₁₄H₁₄O
• 分子量: 198.265
• InChiKey: VZWTXXATIGRTML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	2,3′-oxybis(benzoic acid)	74302-25-3	C14H10O5	258.23

反应信息

• 作为反应物：
  描述：

  1-甲基-2-(3-甲基苯氧基)苯 在 potassium permanganate 作用下， 生成 2,3′-oxybis(benzoic acid)
  参考文献：
  名称：

  Tomita, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1937, vol. 57, p. 391,396; dtsch. Ref. S. 76, 77

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基苯硼酸 在 potassium tert-butylate 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.75h， 生成 1-甲基-2-(3-甲基苯氧基)苯
  参考文献：
  名称：

  Diaryliodonium盐在O芳构化中的竞争途径：机理见解。

  摘要：

  戴上戒指！已经使用实验技术和DFT计算研究了脂肪族醇和氢氧化物与二芳基碘鎓盐的芳基化，以得到烷基芳基醚和二芳基醚。观察到芳基形成和醇氧化途径与芳基化同时进行，并且发现了避免源自芳烃的副产物形成的添加剂。在与缺电子的二芳基碘鎓盐的反应中已经鉴定出新颖的直接亲核取代途径。

  DOI：

  10.1002/chem.201703057

文献信息

• Low Catalyst Loadings for Copper-Catalyzed O-Arylation of Phenols with Aryl and Heteroaryl Halides under Mild Conditions
  作者：Yong-Chua Teo、Fui-Fong Yong、Yaw-Kai Yan、Guan-Leong Chua

  DOI：10.1055/s-0031-1290110

  日期：2012.1

  A practical and mild strategy has been developed for the cross-coupling of O-arylation of phenol with differently substituted aryl halides and heteroaryl iodides using low catalyst loading of copper iodide under low operating temperature in DMF with TMHD as the ligand and Cs2CO3 as the base. This method tolerates a variety of functional groups including sterically hindered phenols and heteroaryl iodides

  已经开发了一种实用且温和的策略，用于在 DMF 中以 TMHD 为配体和 Cs2CO3 为碱，在低操作温度下，使用低催化剂负载量的碘化铜将苯酚与不同取代的芳基卤化物和杂芳基碘化物的 O-芳基化交叉偶联. 该方法可耐受各种官能团，包括空间位阻酚和杂芳基碘化物，以提供良好至极好的产率（高达 95%）的产品。
• N-sulphonylated amino acid derivatives, method for the production and use thereof
  申请人：Sturzebecher Jorg

  公开号：US20070055065A1

  公开（公告）日：2007-03-08

  The present invention relates to N-sulfonylated amino acid derivatives, where an aryl radical is linked via the sulfonyl group N-terminally to the amino acid and a radical which comprises at least one imino group and at least one further basic group which represents an optionally modified amino, amidino or guanidino group is linked C-terminally via the carbonyl group. The invention likewise relates to processes for preparing these compounds and to their use, in particular as inhibitors of matriptase.

  本发明涉及N-磺酰化氨基酸衍生物，其中芳基基团通过磺酰基N-末端与氨基酸连接，而包含至少一个亚胺基团和至少一个其他碱性基团的基团则通过羰基基团C-末端连接。本发明还涉及制备这些化合物的方法以及它们的用途，特别是作为matriptase的抑制剂。
• 17BetaHSD Type 5 Inhibitor
  申请人：Niimi Tatsuya

  公开号：US20110071146A1

  公开（公告）日：2011-03-24

  To provide a novel and excellent method for treating and/or preventing prostatic cancer, benign prostatic hyperplasia, acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, polycystic ovary syndrome, breast cancer, lung cancer, endometriosis, leiomyoma and the like based on selective inhibitory activity against 17βHSD type 5. It was found that an N-sulfonylindole derivative, where the indole ring is substituted by a carboxy group, a carboxy-substituted lower alkyl group or a carboxy-substituted lower alkenyl group at its carbon atom, has potent selective inhibitory activity against 17βHSD type 5 and may become a therapeutic agent and/or preventive agent for benign prostatic hyperplasia, prostatic cancer and the like without accompanying adverse drug reactions due to a decrease in testosterone, and the present invention has thus been completed.

  提供一种新颖和优秀的方法，用于基于对17βHSD类型5的选择性抑制活性，治疗和/或预防前列腺癌、良性前列腺增生、痤疮、脂溢性皮炎、多毛症、秃发、脱发、早熟、肾上腺增生、多囊卵巢综合症、乳腺癌、肺癌、子宫内膜异位症、平滑肌瘤等疾病。发现一种N-磺酰基吲哚衍生物，其中吲哚环在其碳原子上被羧基取代，或者被羧基取代的低烷基或低烯基取代，具有强大的选择性抑制17βHSD类型5的活性，可能成为治疗和/或预防良性前列腺增生、前列腺癌等疾病的治疗剂和/或预防剂，而不伴随着由于睾酮降低而产生的不良药物反应，因此本发明得以完成。
• 17BetaHSD TYPE 5 INHIBITOR
  申请人：Niimi Tatsuya

  公开号：US20090181960A1

  公开（公告）日：2009-07-16

  To provide a novel and excellent method for treating and/or preventing prostatic cancer, benign prostatic hyperplasia, acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, polycystic ovary syndrome, breast cancer, lung cancer, endometriosis, leiomyoma and the like based on selective inhibitory activity against 17βHSD type 5. It was found that an N-sulfonylindole derivative, where the indole ring is substituted by a carboxy group, a carboxy-substituted lower alkyl group or a carboxy-substituted lower alkenyl group at its carbon atom, has potent selective inhibitory activity against 17βHSD type 5 and may become a therapeutic agent and/or preventive agent for benign prostatic hyperplasia, prostatic cancer and the like without accompanying adverse drug reactions due to a decrease in testosterone, and the present invention has thus been completed.

  提供一种新颖优良的方法，用于基于对17βHSD type 5的选择性抑制活性，治疗和/或预防前列腺癌、良性前列腺增生、痤疮、皮脂溢出、多毛症、脱发、早熟、肾上腺增生、多囊卵巢综合症、乳腺癌、肺癌、子宫内膜异位症、平滑肌瘤等疾病。发现一种N-磺酰基吲哚衍生物，其中吲哚环在其碳原子上被羧基、羧基取代的低碳基或羧基取代的低烯基取代，具有强大的选择性抑制17βHSD type 5的活性，可以成为治疗剂和/或预防剂，用于治疗良性前列腺增生、前列腺癌等疾病，不会伴随着由于睾酮减少而引起的不良药物反应，因此本发明已经完成。
• N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF
  申请人：Stürzebecher Jörg

  公开号：US20110002992A1

  公开（公告）日：2011-01-06

  The present invention relates to N-sulfonylated amino acid derivatives, where an aryl radical is linked via the sulfonyl group N-terminally to the amino acid and a radical which comprises at least one imino group and at least one further basic group which represents an optionally modified amino, amidino or guanidino group is linked C-terminally via the carbonyl group. The invention likewise relates to processes for preparing these compounds and to their use, in particular as inhibitors of matriptase.

  本发明涉及N-磺酰基氨基酸衍生物，其中芳基基团通过磺酰基N末端与氨基酸连接，而包含至少一个亚胺基团和至少一个进一步的碱性基团的基团，该基团表示为可选修饰的氨基，酰胺基或鸟氨酸基团，通过羰基基团C末端连接。本发明还涉及制备这些化合物的方法及其用途，特别是作为matriptase的抑制剂。