5-benzyloxy-2-mercaptophenol | 170282-24-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 5-benzyloxy-2-mercaptophenol
• 英文别名: 4-benzyloxy-thiophenol；5-(Benzyloxy)-2-sulfanylphenol；5-phenylmethoxy-2-sulfanylphenol
• CAS: 170282-24-3
• 化学式: C₁₃H₁₂O₂S
• 分子量: 232.303
• InChiKey: CYRFLLHOXPLCOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  30.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-benzyloxy-2-mercaptophenol 在 三乙基硅烷 、 偶氮二甲酸二异丙酯 、 三乙胺 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Estrogen receptor ligands. Part 4: The SAR of the syn-dihydrobenzoxathiin SERAMs

  摘要：

  A series of estrogen receptor ligands based on a dihydrobenzoxathiin scaffold is described and evaluated for estrogen/anti-estrogen activity in both in vitro and in vivo models. The most active analogue, 22, was found to be 40-fold ERalpha selective in a competitive binding assay, and 22 demonstrated very potent in vivo antagonism of estradiol driven proliferation in an immature rat uterine weight gain assay. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.074
• 作为产物：
  描述：

  6-(benzyloxy)benzo[d][1,3]oxathiole-2-one 在 氢氧化钾 、 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.0h， 以81.4%的产率得到5-benzyloxy-2-mercaptophenol
  参考文献：
  名称：

  [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP
  [FR] MODULATEURS SELECTIFS DES RECEPTEURS OESTROGENIQUES CONTENANT UN GROUPE PHENYLSULFONYLE

  摘要：

  本发明涉及式I的选择性雌激素受体调节剂或其药用酸盐加合物；例如，用于治疗子宫内膜异位症和/或子宫平滑肌瘤。

  公开号：

  WO2004009086A1

文献信息

• Substituted phenyl compounds
  申请人：Rhone-Poulenc Rorer Limited

  公开号：US06211234B1

  公开（公告）日：2001-04-03

  Compounds of formula (I) are described wherein R1 is hydrogen, -(lower alkyl)q(CO2R6 or OH), —CN, —C(R7)═NOR8, NO2, —O(lower alkyl)R9, —C≡C—R10, —CR11═C(R12)(R13), —C(═O)CH2C(═O)CO2H, —CO(R14), alkylthio, alkylsulphinyl, alkylsulphonyl, carbamoyl, thiocarbamoyl, substituted carbamoyl, substituted thiocarbamoyl, sulphamoyl or an optionally substituted nitrogen-containing ring, m, n, o and p are independently zero or 1 and R2, R3, R4 and R5 are various groups; and physiologically acceptable salts, N-oxides and prodrugs thereof. The compounds have endothelin antagonist activity and are useful as pharmaceuticals.

  式(I)的化合物描述如下，其中R1为氢，-(较低烷基)q(CO2R6或OH)，—CN，—C(R7)HNOR8，NO2，—O(较低烷基)R9，—C≡C—R10，—CR11CH(R12)(R13)，—C(O)CH2C(O)CO2H，—CO(R14)，烷基硫醚，烷基亚砜基，烷基磺酰基，氨基甲酰基，硫代氨基甲酰基，取代的氨基甲酰基，取代的硫代氨基甲酰基，磺酰胺基或可选择取代的含氮环，m、n、o和p独立地为零或1，R2、R3、R4和R5为各种基团；以及其生理学上可接受的盐、N-氧化物和前药。这些化合物具有内皮素拮抗活性，并可用作药物。
• Phenyl heterocyclyl ethers
  申请人：——

  公开号：US20030207857A1

  公开（公告）日：2003-11-06

  The invention relates to compounds of formula I 1

  该发明涉及公式I1的化合物。
• Diphenyl ether compounds useful in therapy
  申请人：——

  公开号：US20020052395A1

  公开（公告）日：2002-05-02

  A compound of general formula (I), or pharmaceutically acceptable salts, solvates or polymorphs thereof; wherein; R 1 and R 2 , which may be the same or different, are hydrogen, C 1 -C 6 alkyl, (CH 2 )m(C 3 -C 6 cycloalkyl) wherein m =0, 1, 2 or 3, or R 1 and R 2 together with the nitrogen to which they are attached form an azetidine ring; each R 3 is independently CF 3 , OCF 3 , C 1-4 alkylthio or C 1 -C 4 alkoxy; n is 1, 2 or 3; and R 4 and R 5 , which may be the same or different, are: A-X, wherein A =—CH=CH— or —(CH 2 )p— where p is 0, 1 or 2; X is hydrogen, F, Cl, Br, I, CONR 6 R 7 ,SO 2 NR 6 R 7 , SO 2 NHC(=O)R 6 , OH, C 1-4 alkoxy, NR 8 SO 2 R 9 , NO 2 , NR 6 R 11 , CN, CO 2 R 10 , CHO, SR 10 , S(O)R 9 or SO 2 R 10 R 6 , R 7 , R and R 10 which may be the same or different, are hydrogen or C 1-6 alkyl optionally substituted independently by one or more R 12 ; R 9 is C 1-6 alkyl optionally substituted independently by one or more R 12 ; R 11 is hydrogen, C 1-6 alkyl optionally substituted independently by one or more R 12 , C(O)R 6 , CO 2 R 9 , C(O)NHR 6 or SO 2 NR 6 R 7 ; R 12 is F, OH, CO 2 H, C 3-6 cycloalkyl, NH 2 , CONH 2 , C 1-6 alkoxy, C 1-6 alkoxycarbonyl or a 5- or 6-membered heterocyclic ring containing 1, 2 or 3 heteroatoms selected from N, S and O optionally substituted independently by one or more R 13 ; or R 6 and R 7 , together with the nitrogen to which they are attached, form a 4-, 5- or 6-membered heterocyclic ring optionally substituted independently by one or more R 13 ; or a 5- or 6-membered heterocyclic ring containing 1, 2 or 3 heteroatoms selected from N, S and O, optionally substituted independently by one or more R 13 ; wherein R 13 is hydroxy, C 1 -C 4 alkoxy, F, C 1 -C 6 alkyl, haloalkyl, haloalkoxy, —NH 2 , —NH(C 1 -C 6 alkyl) or —N(C 1 -C 6 alkyl) 2 ; wherein when R 1 and R 2 are methyl, R 4 and R 5 are hydrogen and n is 1, R 3 is not a —SMe group para to the ether linkage linking rings A and B. 1

  通用式（I）的化合物，或其药学上可接受的盐、溶剂化合物或多晶型；其中；R1和R2，可能相同或不同，为氢、C1-C6烷基、（CH2）m（C3-C6环烷基）其中m=0、1、2或3，或者R1和R2与它们连接的氮一起形成氮杂环丙烷环；每个R3独立地为CF3、OCF3、C1-4烷基硫或C1-C4烷氧基；n为1、2或3；以及R4和R5，可能相同或不同，为：A-X，其中A=-CH=CH-或-(CH2)p-其中p为0、1或2；X为氢、F、Cl、Br、I、CONR6R7、SO2NR6R7、SO2NHC(=O)R6、OH、C1-4烷氧基、NR8SO2R9、NO2、NR6R11、CN、CO2R10、CHO、SR10、S(O)R9或SO2R10R6，R7，R和R10可能相同或不同，为氢或C1-6烷基，可选地独立地被一个或多个R12取代；R9为C1-6烷基，可选地独立地被一个或多个R12取代；R11为氢、C1-6烷基，可选地独立地被一个或多个R12取代，C(O)R6，CO2R9，C(O)NHR6或SO2NR6R7；R12为F、OH、CO2H、C3-6环烷基、NH2、CONH2、C1-6烷氧基、C1-6烷氧羰基或含有1、2或3个异原子（N、S和O）的5-或6元杂环，可选地独立地被一个或多个R13取代；或R6和R7，与它们连接的氮一起，形成一个可选地被一个或多个R13取代的4、5或6元杂环；或含有1、2或3个异原子（N、S和O）的5-或6元杂环，可选地独立地被一个或多个R13取代；其中R13为羟基、C1-C4烷氧基、F、C1-C6烷基、卤代烷基、卤代烷氧基、-NH2、-NH(C1-C6烷基)或-N(C1-C6烷基)2；当R1和R2为甲基时，R4和R5为氢，n为1，R3不是SMe基固定在连接环A和B的醚键旁。
• [EN] PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS<br/>[FR] DERIVES DE PHENYLE HETEROCYCLYLE ETHER UTILISES COMME INHIBITEURS DU RECAPTAGE DE LA SEROTONINE
  申请人：PFIZER LTD

  公开号：WO2002083643A1

  公开（公告）日：2002-10-24

  The invention relates to compounds of the formula (I) which exhibit activity as selective serotonin re-uptake inhibitors.

  本发明涉及公式（I）的化合物，其表现出作为选择性血清素再摄取抑制剂的活性。
• Selective estrogen receptor modulators containing a phenylsulfonyl group
  申请人：Dally Dean Robert

  公开号：US20060183736A1

  公开（公告）日：2006-08-17

  The present invention relates to a selective estrogen receptor modulator of formula I or a pharmaceutical acid addition salt thereof; useful, e.g., for treating endometriosis and/or uterine leiomyoma/leiomyomata.

  本发明涉及式I的选择性雌激素受体调节剂或其药物酸盐加合物；例如，用于治疗子宫内膜异位症和/或子宫平滑肌瘤/平滑肌瘤。