3-tert-butyl-4-hydroxy-5-methylbenzenethiol | 53411-23-7

• 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: 3-tert-butyl-4-hydroxy-5-methylbenzenethiol
• 英文别名: 3-tert-butyl-4-hydroxy-5-methylphenylsulphide；3-methyl-4-hydroxy-5-tert-butylbenzenethiol；3-tert-butyl-4-hydroxy-5-methylphenyl sulfide；2-tert-butyl-6-methyl-4-mercaptophenol；2-tert-Butyl-4-mercapto-6-methyl-phenol；3-tert-butyl-5-methyl-4-hydroxyphenylthiol；3-methyl-5-tert-butyl-4-hydroxythiophenol；2-t-butyl-6-methyl-4-mercaptophenol；2-tert-butyl-6-methyl-4-sulfanylphenol
• CAS: 53411-23-7
• 化学式: C₁₁H₁₆OS
• 分子量: 196.313
• InChiKey: NHFCVYSWVVNTQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-tert-butyl-4-hydroxy-5-methylbenzenethiol 、 仲辛酮 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 4,4'-(octane-2,2-diylbis(sulfanediyl))bis(2-(tert-butyl)-6-methylphenol)
  参考文献：
  名称：

  亚烷基二硫基双酚的合成和降胆固醇活性。

  摘要：

  DOI：

  10.1021/jm00298a031
• 作为产物：
  描述：

  2-tert-butyl-6-methyl-4-thiocyanatophenol 在 盐酸 、 sodium hydroxide 、 锌 作用下， 生成 3-tert-butyl-4-hydroxy-5-methylbenzenethiol
  参考文献：
  名称：

  Pastor, Stephen D.; Odorisio, Paul A.; Ravichandran, Ramanathan, Phosphorus and Sulfur and the Related Elements, 1987, vol. 29, p. 67 - 72

  摘要：

  DOI：
• 作为试剂：
  描述：

  (E)-4-((2E,4E)-N-(4-methoxybenzyl)-hexa-2,4-dienamido)-3-methylbut-2-enyl acetate 在 manganese(IV) oxide 、 3-tert-butyl-4-hydroxy-5-methylbenzenethiol 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 5.0h， 生成 (+)-(4R,8R)-2-(4-methoxybenzyl)-3a,5-dimethyl-1-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carbaldehyde 、 (+)-(4S,8R)-2-(4-methoxybenzyl)-3a,5-dimethyl-1-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carbaldehyde
  参考文献：
  名称：

  Assembly of the Isoindolinone Core of Muironolide A by Asymmetric Intramolecular Diels–Alder Cycloaddition

  摘要：

  The hexahydro-1H-isoindolin-1-one core of muironolide A was prepared by asymmetric intramolecular Diels-Alder cycloaddition using a variant of the MacMillan organocatalyst which sets the C4,C5 and C11 stereocenters.

  DOI：

  10.1021/ol201461n

文献信息

• Substituted phenyl acetamides and their use as protease inhibitors
  申请人：——

  公开号：US20040254166A1

  公开（公告）日：2004-12-16

  Phenyl acetamide compounds are described, including compounds of Formula I: 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 3 -R 6 , R 11 , B, Y and W are set forth in the specification. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as thrombin and factor Xa. Compositions for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  苯乙酰胺化合物的描述，包括式I的化合物： 或其溶剂化合物、水合物或药用可接受盐；其中R 3 -R 6 ，R 11 ，B，Y和W在说明书中列出。本发明的化合物是蛋白酶的强效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如凝血酶和Xa因子。描述了用于抑制血小板丢失、抑制血小板聚集物形成、抑制纤维蛋白形成、抑制血栓形成和抑制栓塞形成的组合物。本发明化合物的其他用途是作为抗凝剂，嵌入或物理连接到用于制造用于血液采集、血液循环和血液储存的设备中的材料中，如导管、血液透析机、血液采集器和管、血管和支架。此外，这些化合物可以被检测标记并用于体内血栓的成像。
• Fluorinated cyclobutyl purines and pyrimidines
  申请人：E.R. SQUIBB & SONS, INC.

  公开号：EP0554025A2

  公开（公告）日：1993-08-04

  Antiviral activity is exhibited by compounds having the formula or a pharmaceutically acceptable salt thereof wherein R1 is a purinyl, substituted purinyl, pyrimidinyl, or substituted pyrimidinyl, R6 is -OH, -CH20H, -OP03H2, -CH2-O-P03H2, or and R7 is hydrogen, -P03H2, or

  抗病毒活性由具有以下结构的化合物展示： 或其药用可接受盐，其中R1是嘌呤基、取代嘌呤基、嘧啶基或取代嘧啶基，R6是-OH、-CH20H、-OP03H2、-CH2-O-P03H2， 或 而R7是氢、-P03H2，或
• Thiazolinone unsubstituted quinolines
  申请人：Chen Li

  公开号：US20060004045A1

  公开（公告）日：2006-01-05

  Thiazolinone quinoline derivatives having no substitution on the quinoline ring active as CDK1 inhibitors which are useful as anti-proliferation agents such as for treating solid tumors.

  噻唑酮喹啉衍生物在喹啉环上没有取代基，作为CDK1抑制剂活性，可用作抗增殖剂，例如用于治疗实体肿瘤。
• Substituted N-(4-hydroxyphenylthioalkyl) cyclic imides
  申请人：Ciba-Geigy Corporation

  公开号：US04692532A1

  公开（公告）日：1987-09-08

  Substituted (4-hydroxyphenylthioalkyl) derivatives of the formula ##STR1## are prepared by the reaction of the appropriate ring and hydroxybenzene thiol compounds and are useful stabilizers of organic materials.

  公式为##STR1##的(4-羟基苯硫烷基)衍生物可通过适当环和羟基苯硫化合物的反应制备，并可用作有机材料的稳定剂。
• 2-fluoroalkyl-1,4-benzoxaxines as potassium channel mediators
  申请人：Zeneca Limited

  公开号：US05486515A1

  公开（公告）日：1996-01-23

  Compounds of formula I ##STR1## wherein X.sup.a, X.sup.b, R, R.sup.1 and R.sup.2 have any of the meanings given in the specification, and their pharmaceutically acceptable salts are useful as potassium channel openers for the treatment of urinary incontinence. Also disclosed are pharmaceutical compositions, processes for preparing the compounds of formula I and intermediates.

  式I的化合物##STR1##其中X.sup.a、X.sup.b、R、R.sup.1和R.sup.2具有规范中给定的任何含义，它们的药用盐可用作治疗尿失禁的钾通道开放剂。还披露了制备式I化合物和中间体的药物组合物和工艺。