9-Methyl-xanthen | 38731-93-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9-Methyl-xanthen
• 英文别名: 9-methylxanthene；9-methyl-9H-xanthene；Xanthen-9-carbon
• CAS: 38731-93-0
• 化学式: C₁₄H₁₂O
• 分子量: 196.249
• InChiKey: JLDMKQDMDPUOAI-UHFFFAOYSA-N

物化性质

• 熔点：
  128-129 °C
• 沸点：
  96-98 °C(Press: 1 Torr)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• 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

反应信息

• 作为反应物：
  描述：

  9-Methyl-xanthen 在 NiBr₂(dtbbpy) 、 [4,4'-bis(1,1-dimethylethyl)-2,2'-bipyridine-N¹,N¹]bis-{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C}iridium(III) hexafluorophosphate 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 生成 9-methylene-9H-xanthene 、 占吨酮 、 9,9'-dimethyl-9H,9'H-9,9'-bixanthene
  参考文献：
  名称：

  苄基 C-H 键的光驱动脱氢均偶联形成应变 C-C 键

  摘要：

  报道了烷基芳烃的光诱导脱氢均偶联反应。气态氢作为唯一的副产物放出，不需要氧化剂和氢受体。本反应为形成空间应变的 C-C 单键提供了一种环境友好和原子经济的方法。它还提供了一个光驱动反应克服能量显着增加的显着例子。

  DOI：

  10.1055/a-1644-4876
• 作为产物：
  描述：

  占吨酮 在 lithium aluminium tetrahydride 、 三氯化铝 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 2.0h， 生成 9-Methyl-xanthen
  参考文献：
  名称：

  Mechanism of photoisomerization of xanthene to 6H-dibenzo[b,d]pyran in aqueous solution

  摘要：

  A new photoreaction, the photoisomerization of xanthene (1) to 6H-dibenzo[b,d]pyran (2) (almost-equal-to 70%) (PHI = 0.0035 in 7:3 H2O-CH3CN) in aqueous CH3CN solution is reported. In addition to 2, 2-benzylphenol (3) (PHI almost-equal-to 0.001), 9,9'-bixanthyl (4) (PHI < 0.001), and 2-(2'-hydroxyphenyl)benzyl alcohol (5) (PHI < 0.001) are also observed as minor products. 9-Methylxanthene (9) also photoisomerizes to the corresponding pyran derivative 10, although in this case much lower yields are observed due to secondary photochemistry of 10. The photoisomerization of 1 is most efficient in aqueous solution: PHI increased with increasing water content in a H2O-CH3CN solvent mixture. A mechanism of photoisomerization is proposed that involves initial Ar-O bond homolysis from S1, to generate a singlet biradical. Trivial recombination gives back unreacted 1. Hydrogen abstraction from solvent leads to the photoreduction product 3. However, recombination of the biradical at the ipso benzylic position (ortho to phenol) gives a cyclohexadienone intermediate 17. Subsequent transformation of this species to 2 occurs via an o-quinone methide intermediate 18, which itself can be trapped with MeOH or H2O, to give the corresponding methyl ether derivative 8 or alcohol 5.

  DOI：

  10.1021/jo00018a044

文献信息

• [EN] HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT D'ÉTATS LIÉS AU STRESS
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2010137738A1

  公开（公告）日：2010-12-02

  The present invention provides a novel heterocyclic compound. A heterocyclic compound represented by general formula (1) wherein, R1 and R2, each independently represent hydrogen; a phenyl lower alkyl group that may have a substituent(s) selected from the group consisting of a lower alkyl group and the like on a benzene ring and/or a lower alkyl group; or a cyclo C3-C8 alkyl lower alkyl group; or the like; R3 represents a lower alkynyl group or the like; R4 represents a phenyl group that may have a substituent(s) selected from the group consisting of a 1,3,4-oxadiazolyl group that may have e.g., halogen or a heterocyclic group selected from pyridyl group and the like; the heterocyclic group may have at least one substituent(s) selected from a lower alkoxy group and the like or a salt thereof.

  本发明提供了一种新颖的杂环化合物。一种由通式（1）表示的杂环化合物，其中，R1和R2分别独立表示氢；苯基较低烷基基团，可能在苯环和/或较低烷基基团上具有从较低烷基基团等组成的取代基；或环C3-C8烷基较低烷基基团；或类似物；R3表示较低炔基基团或类似物；R4表示可能具有从1,3,4-噁二唑基团（例如，卤素）或从吡啶基团等组成的取代基的苯基团；所述杂环基可能具有至少一个从较低烷氧基等选择的取代基或其盐。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• Conversion of aromatic ketones, benzyl alcohols, and alkyl aryl ethers to aromatic hydrocarbons with lithium 4,4′-di-t-butylbiphenyl radical anion
  作者：Rafik Karaman、Dan T Kohlman、James L Fry

  DOI：10.1016/s0040-4039(00)97012-6

  日期：1990.1

  with excess lithium (or potassium) metal under ultrasonic irradiation in the presence of catalytic amounts of the electron-transfer agent 4,4′-di-t-butylbiphenyl (DBB) caused conversions to aromatic hydrocarbons in good yields. Addition of 1 or 2 equiv of alkyl halides prior to aq ammonium chloride treatment during workup provided mono- or di-alkylated products.

  四氢呋喃（THF）的超声波照射下在催化量的电子转移剂4,4'-二-的存在下与过量的锂（或钾）金属的标题化合物的溶液的处理吨引起-butylbiphenyl（DBB）转换到芳烃，收率高。在后处理期间在氯化铵水溶液处理之前添加1或2当量的烷基卤化物提供了单烷基化或二烷基化的产物。
• [EN] SPACER-MEDIATED CONTROL OF UNCAGING PHOTOCAGED MOLECULES<br/>[FR] RÉGULATION MÉDIÉE PAR ESPACEUR DE MOLÉCULES PHOTOBLOQUÉES FONCTIONNALISÉES
  申请人：UNIV CALIFORNIA

  公开号：WO2021150621A1

  公开（公告）日：2021-07-29

  Provided herein, inter alia, are methods and compositions useful for treating a disease.

  在此提供的方法和组合物可用于治疗疾病。
• [EN] HIV PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTÉASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2009042093A1

  公开（公告）日：2009-04-02

  Compounds of Formula I are disclosed: (I), wherein XA, k, R1, R2, R3, R4, R5, R5A, R6, R6A, R7 and R8 are defined herein. The compounds encompassed by Formula I include compounds which are HIV protease inhibitors and other compounds which can be metabolized in vivo to HIV protease inhibitors. The compounds and their pharmaceutically acceptable salts are useful for the prophylaxis or treatment of infection by HIV and the prophylaxis, treatment, or delay in the onset of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  已披露的I式化合物：(I)，其中XA、k、R1、R2、R3、R4、R5、R5A、R6、R6A、R7和R8在此定义。公式I所包括的化合物包括HIV蛋白酶抑制剂和其他可在体内代谢为HIV蛋白酶抑制剂的化合物。这些化合物及其药用盐可用于预防或治疗HIV感染以及预防、治疗或延缓艾滋病的发作。这些化合物及其盐可用作药物组成部分，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。