2,5-di-tert-butyl-4-methylphenol | 17688-83-4

• 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: 2,5-di-tert-butyl-4-methylphenol
• 英文别名: 2,5-tert-butyl-4-methyl-phenol；2,5-ditert-butyl-4-methylphenol
• CAS: 17688-83-4
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: AFTBJQDQENGCPC-UHFFFAOYSA-N

物化性质

• 沸点：
  295.2±9.0 °C(Predicted)
• 密度：
  0.927±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  三氟甲氧基苯 、 2,5-di-tert-butyl-4-methylphenol 在 三氯化铝 作用下， 生成 1-(tert-butyl)-4-(trifluoromethoxy)benzene
  参考文献：
  名称：

  芳香替代。53. (α,α,α-三氟甲氧基)苯的亲电硝化、卤化、酰化、烷基化

  摘要：

  Etude detaillee de l'effet directeur du groupe trifluoromethoxy dans les reaction du titre

  DOI：

  10.1021/ja00246a030
• 作为产物：
  描述：

  2,6-二叔丁基-4-甲基苯酚 以 甲醇 为溶剂， 生成 2,5-di-tert-butyl-4-methylphenol
  参考文献：
  名称：

  Photoinduced reactions—LXIX

  摘要：

  DOI：

  10.1016/s0040-4020(01)93432-5
• 作为试剂：
  描述：

  5-碘水杨酸甲酯 在 四(三苯基膦)钯 硫酸 、 2,5-di-tert-butyl-4-methylphenol 、 锌 作用下， 反应 116.0h， 生成 Methyl 5-(α,β,β)-trifluorovinylacetylsalicylate
  参考文献：
  名称：

  Synthesis of fluorovinylsalicylic acids and their derivatives

  摘要：

  Palladium-catalyzed cross-coupling of iodosalicylic acid derivatives with polfluorovinyl zinc reagents provided the corresponding fluorovinyl-substituted salicylates. Methyl-5-(beta,beta)-difluorovinyl methyl salicylate was prepared by a Wittig reaction of the 5-formyl compound with the strongly nucleophilic ylide, [(Et(2)N)(3)P-CF2]. In one sequence, a fluorine-free benzofuran was obtained, instead of a difluorovinyl-salicylate.

  DOI：

  10.1016/0022-1139(95)03255-c

文献信息

• Pyrazinyl-substituted naphthalene derivatives
  申请人：——

  公开号：US20010004669A1

  公开（公告）日：2001-06-21

  Compounds of the formula 1 where R 1 is of the formulae 2 R 2 is —R 4 , —O—R 4 , —O—S (O) 2 —R 4 , —NR 4 R 5 , R 4 —(CH 2 ) b —NH(C═X)—(CH 2 )—, R 4 —(CH 2 ) b —O(C═O)NH—(CH 2 ) c —(C═O)NH—, R 4 (C═O)NH—(C═O)NH—, —(CH 2 ) b —NH(C═X)—(CH 2 ) c —R 4 , R 4 —(CH 2 ) b —O(C═)—(CH 2 ) c —, —(CH 2 ) b —O(C═O)—(CH 2 ) c —R 4 , —NH(C═X)NH—R 4 , R 4 —O(C═O)O—, —O(C═)NH—R 4 , R 4 —O(C═O)NH—, —(CH 2 ) b —(C═0)—(CH 2 ) c —R 4 , —NH—S(O) 2 —R 4 , —C(OH)R 4 R 5 , —CH(OH)—R 4 , —(C═O)—NR 4 R 5 , —CN, —NO 2 , substituted C 1 to C 6 alkyl, substituted or unsubstituted C 1 to C 6 alkenyl, or substituted or unsubstituted C 1 to C 6 alkynyl, said substituted moieties substituted with a moiety of the formulae —R 4 , —R 4 R 5 , —O—R 4 , or —S(O) d —R 4 . These compounds are useful psychotherapeutics and are potent serotonin (5-HT 1 ) agonists and antagonists and may be used in the treatment of depression, anxiety, eating disorders, obesity, drug abuse, cluster headache, migraine, pain and chronic paroxysmal hemicrania and headache associated with vascular disorders, and other disorders arising from deficient serotonergic neurotranmission. The compounds can also be used as centrally acting antihypertensives and vasodilators.

  公式1的化合物，其中R1是公式2，R2是—R4，—O—R4，—O—S(O)2—R4，—NR4R5，R4—(CH2)b—NH(C═X)—(CH2)c—，R4—(CH2)b—O(C═O)NH—(CH2)c—(C═O)NH—，R4(C═O)NH—(C═O)NH—，—(CH2)b—NH(C═X)—(CH2)c—R4，R4—(CH2)b—O(C═)—(CH2)c—，—(CH2)b—O(C═O)—(CH2)c—R4，—NH(C═X)NH—R4，R4—O(C═O)O—，—O(C═)NH—R4，R4—O(C═O)NH—，—(CH2)b—(C═O)—(CH2)c—R4，—NH—S(O)2—R4，—C(OH)R4R5，—CH(OH)—R4，—(C═O)—NR4R5，—CN，—NO2，取代的C1至C6烷基，取代或未取代的C1至C6烯基，或取代或未取代的C1至C6炔基，所述取代基团被公式—R4，—R4R5，—O—R4或—S(O)d—R4的基团取代。这些化合物是有用的精神治疗剂，并且是强效的血清素（5-HT1）激动剂和拮抗剂，可用于治疗抑郁症、焦虑症、饮食失调、肥胖、药物滥用、丛集性头痛、偏头痛、疼痛和慢性阵发性偏头痛以及与血管疾病相关的头痛，以及其他由血清素神经传递不足引起的疾病。这些化合物还可用作中枢作用抗高血压药和血管扩张剂。
• Ethylenically unsaturated compounds
  申请人：BASF Aktiengesellschaft

  公开号：US05202483A1

  公开（公告）日：1993-04-13

  Ethylenically unsaturated compounds of the general formula I ##STR1## where R.sub.1 is alkyl of 1 to 4 carbon atoms, cyclopropyl, cyclopentyl, cyclohexyl, phenyl or phenyl in which some or all of the hydrogen atoms have been replaced by radicals R.sup.4, not more than two substituents R.sup.4 being identical, or R.sup.1 together with R.sup.2 or together with R.sup.6 forms a --CH.sub.2 --CH.sub.2 -- or --CH.sub.2 --CH.sub.2 --CH.sub.2 -- bridge, R.sup.4 is alkyl of 1 to 24 carbon atoms, --OH, --O--R.sup.7, --S--R.sup.7, ##STR2## R.sup.2 or R.sup.6, independently of one another, both are hydrogen, or one of the radicals R.sup.4, or, where R.sup.1 is aryl, R.sup.2 or R.sup.6 is a direct bond to R.sup.1 in the ortho-position with respect to the carbonyl group, and R.sup.3 and R.sup.5 are each hydrogen, one of the radicals R.sup.4 or a group the general formula II ##STR3## where R.sup.7 and R.sup.8 are each alkyl of 1 to 4 carbon atoms, R.sup.9 is cycloalkyl of 5 or 6 carbon atoms, R.sup.10 is hydrogen or alkyl of 1 to 4 carbon atoms and R.sup.11 is hydrogen or alkyl of 1 to 4 carbon atoms, with the proviso that either R.sup.3 or R.sup.5 is a group of the general formula II, are suitable for the preparation of polymers which, after exposure to actinic radiation, have increased internal strength.

  通用式I的乙烯不饱和化合物##STR1##其中R.sub.1是1至4个碳原子的烷基，环丙基，环戊基，环己基，苯基或苯基，其中一些或全部氢原子已被基团R.sup.4取代，不超过两个取代基R.sup.4相同，或R.sup.1与R.sup.2或与R.sup.6一起形成--CH.sub.2--CH.sub.2--或--CH.sub.2--CH.sub.2--CH.sub.2--桥，R.sup.4是1至24个碳原子的烷基，--OH，--O--R.sup.7，--S--R.sup.7，##STR2##R.sup.2或R.sup.6，彼此独立，都是氢，或一个基团R.sup.4，或者，其中R.sup.1是芳基，R.sup.2或R.sup.6是与R.sup.1相对于羰基的邻位直接键合，R.sup.3和R.sup.5分别是氢，基团R.sup.4中的一个，或通用式II的基团##STR3##其中R.sup.7和R.sup.8分别是1至4个碳原子的烷基，R.sup.9是5或6个碳原子的环烷基，R.sup.10是氢或1至4个碳原子的烷基，R.sup.11是氢或1至4个碳原子的烷基，条件是R.sup.3或R.sup.5是通用式II的基团之一，适用于制备聚合物，经过光辐射后，其内部强度增加。
• Electrophoretic paint containing bismuth components
  申请人：Hartung Michael

  公开号：US20050240042A1

  公开（公告）日：2005-10-27

  Electrocoat materials comprising bismuth compounds, further comprising (A) at least one self-crosslinking and/or externally crosslinking binder containing (potentially) cationic or anionic groups and reactive functional groups which (i) with themselves or with complementary reactive functional groups in the self-crosslinking binder, or (ii) in the case of the externally crosslinking binder, with complementary reactive functional groups present in crosslinking agents (B) are able to undergo thermal crosslinking reactions, (B) if desired, at least one crosslinking agent comprising the complementary reactive functional groups, and (C) bismuth subsalicylate of empirical formula C 7 H 5 O 4 Bi.

  电泳涂料材料包括铋化合物，进一步包括（A）至少一种含有（可能）阳离子或阴离子基团和反应性功能基团的自交联和/或外部交联粘合剂，这些基团（i）与自身或与自交联粘合剂中的互补反应性功能基团，或（ii）在外部交联粘合剂的情况下，与交联剂（B）中存在的互补反应性功能基团能够发生热交联反应，（B）如有需要，至少一种含有互补反应性功能基团的交联剂，以及（C）的乙酸铋的经验式为C7H5O4Bi。
• Mucoadhesive and bioadhesive polymers
  申请人：Carrington Dennis Stephen

  公开号：US20050281775A1

  公开（公告）日：2005-12-22

  This invention provides a method of augmenting an epithelial mucosal barrier, by contacting the barrier with a topical composition. This invention also provides the topical composition. The topical composition comprises, dispersed or dissolved in a topically acceptable vehicle, at least one polymer containing either a repeat unit of structure 1 or a repeat unit of structure 2, or a mixture This method and composition are useful in improving mucosal barrier function by, for example, topical application to an exposed or injured epithelial surface or by coating a compromised mucosal barrier in, for example, inflammatory bowel disease.

  这项发明提供了一种通过将一种局部组合物与屏障接触来增强上皮粘膜屏障的方法。这项发明还提供了该局部组合物。该局部组合物包括至少一种聚合物，该聚合物包含结构1的重复单元或结构2的重复单元，或二者的混合物，分散或溶解在局部可接受的载体中。该方法和组合物可用于通过将其局部应用于暴露或受伤的上皮表面，或通过在受损的粘膜屏障上涂覆，例如在炎症性肠病中，改善粘膜屏障功能。
• POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF
  申请人：JNC CORPORATION

  公开号：US20170174992A1

  公开（公告）日：2017-06-22

  An object is to provide a polymerizable liquid crystal compound, a polymerizable liquid crystal composition containing the compound and liquid crystal polymerization film-kind capable of controlling chromatic dispersion characteristics and having low positive chromatic dispersion characteristics. An aspect can be exemplified in which the polymerizable liquid crystal compound is represented by formula (1): in which, in formula (1), G is a group composed of a quinoline skeleton, an isoquinoline skeleton, a quinoxaline skeleton or a quinazoline skeleton, A 1 is 1,4-phenylene or 1,4-cyclohexylene, Z 1 is a connecting group, m is an integer from 0 to 3, and R 1 is a group containing a polymerizable group.

  提供一种可聚合的液晶化合物，包含该化合物的可聚合液晶组合物以及能够控制色散特性并具有低正色散特性的液晶聚合膜。一种例子是该可聚合液晶化合物由式(1)表示：其中，在式(1)中，G是由喹啉骨架、异喹啉骨架、喹啉骨架或喹嗪骨架组成的基团，A1为1,4-苯基或1,4-环己基，Z1为连接基，m为0至3的整数，R1为含有可聚合基团的基团。