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2,6-二-叔丁基-4-(3-羟基-2,2-二甲基丙基)苯酚 | 57717-80-3

中文名称
2,6-二-叔丁基-4-(3-羟基-2,2-二甲基丙基)苯酚
中文别名
——
英文名称
3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethyl-1-propanol
英文别名
CGP 7930;3,5-bis(1,1-dimethylethyl)-4-hydroxy-β,β-dimethylbenzenepropanol;2,6-Ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
2,6-二-叔丁基-4-(3-羟基-2,2-二甲基丙基)苯酚化学式
CAS
57717-80-3
化学式
C19H32O2
mdl
——
分子量
292.462
InChiKey
XLWJPQQFJNGUPA-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 溶解度:
    DMSO:22 mg/mL,可溶

计算性质

  • 辛醇/水分配系数(LogP):
    5.7
  • 重原子数:
    21
  • 可旋转键数:
    5
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.68
  • 拓扑面积:
    40.5
  • 氢给体数:
    2
  • 氢受体数:
    2

安全信息

  • WGK Germany:
    3

SDS

SDS:2be780afc257b3c0b9183d92397b9874
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2,6-二-叔丁基-4-(3-羟基-2,2-二甲基丙基)苯酚吡啶 作用下, 生成 Diethyl-carbamic acid 3-(3,5-di-tert-butyl-4-hydroxy-phenyl)-2,2-dimethyl-propyl ester
    参考文献:
    名称:
    DE2512895
    摘要:
    公开号:
  • 作为产物:
    描述:
    2,6-二叔丁基苯酚氢氧化钾 、 sodium tetrahydroborate 作用下, 以 甲醇乙醇 为溶剂, 反应 3.0h, 生成 2,6-二-叔丁基-4-(3-羟基-2,2-二甲基丙基)苯酚
    参考文献:
    名称:
    Synthesis and Biological Activity of Allosteric Modulators of GABAB Receptors, Part 2. 3-(2,6-Bis-tert-butyl-4-hydroxyphenyl)propanols
    摘要:
    我们制备了一系列 13 种 2,2-二取代的 3-(3,5-二叔丁基-4-羟基苯基)丙-1-醇衍生物,作为 GABAB 受体的异位调节剂进行评估。环己基和环戊基类似物的活性(EC50,4-7 μM)最高。
    DOI:
    10.1071/ch06164
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文献信息

  • 2-phenyl-3,3,3-trifluoro-2-hydroxy-propionic acid derivatives
    申请人:Malherbe Parichehr
    公开号:US20070027204A1
    公开(公告)日:2007-02-01
    The present invention relates to compounds of formula I: wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the specification and claims, which compounds are active on the GABA B receptor and are useful in the control or prevention of CNS illnesses, especially of illnesses and disorders comprising anxiety, depression, epilepsy, schizophrenia, and cognitive disorders.
    本发明涉及以下式I的化合物: 其中R1、R2、R3、R4、R5和R6如规范和声明中定义的那样,这些化合物对GABA B 受体具有活性,并且在控制或预防中枢神经系统疾病,特别是包括焦虑、抑郁症、癫痫、精神分裂症和认知障碍的疾病和疾病中是有用的。
  • Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors
    申请人:Malherbe Pari
    公开号:US20050197337A1
    公开(公告)日:2005-09-08
    The present invention relates to compounds of formula whereinX is —S— or —NH—; R 3 /R 4 together with the N-atom to which they are attached form a non aromatic 5, 6 or 7 membered ring, which optionally contains in addition to the N-atom one additional heteroatom selected from the group consisting of O, S and N, and wherein the ring is optionally substituted by hydroxy, lower alkyl, lower alkoxy, —NR 2 , —CONR 2 , —CO-lower alkyl or benzyl; or R 3 /R 4 form together with the N-atom to which they are attached a heterocyclic ring system, containing two or three rings and which optionally contains one or two additional heteroatoms selected from the group consisting of N and O and which has no more than 20 carbon atoms; and R, R 1 , R 2 , and R 5 are as defined herein and to pharmaceutically suitable acid addition salts thereof. It has been found that the compounds of the invention are active on the GABA B receptor and therefore are useful for the treatment of anxiety, depression, epilepsy, schizophrenia, cognitive disorders, spasticity and skeletal muscle rigidity, spinal cord injury, multiple sclerosis, amyotrophic lateral sclerosis, cerebral palsy, neuropathic pain and craving associated with cocaine and nicotine, psychosis, panic disorder, posttraumatic stress disorders and gastro-intestinal disorders.
    本发明涉及具有以下公式的化合物:其中X是-S-或-NH-;R3/R4与它们所连接的N原子一起形成一个非芳香性的5、6或7元环,该环除了N原子外,还可以选择性地包含一个额外的杂原子,该杂原子选自O、S和N的组中,并且环可以选择性地被羟基、低级烷基、低级烷氧基、-NR2、-CONR2、-CO-低级烷基或苄基取代;或者R3/R4与它们所连接的N原子一起形成一个含有两个或三个环的杂环体系,该体系可以选择性地包含一个或两个额外的杂原子,这些杂原子选自N和O的组中,并且含有的碳原子数不超过20个;以及R、R1、R2和R5如本文所述,以及药用适当的酸加成盐。已经发现,本发明的化合物对GABAB受体具有活性,因此可用于治疗焦虑、抑郁、癫痫、精神分裂症、认知障碍、痉挛和骨骼肌僵直、脊髓损伤、多发性硬化症、肌萎缩侧索硬化症、脑瘫、神经性疼痛以及与可卡因和尼古丁相关的渴望、精神疾病、恐慌症、创伤后应激障碍和胃肠功能障碍。
  • Novel Compounds For The Treatment Of GI Disorders 682
    申请人:Bauer Udo
    公开号:US20080262064A1
    公开(公告)日:2008-10-23
    The present invention relates to novel imidazole compounds having a positive allosteric GABA B receptor (CUR) modulator effect, methods for the preparation of said compounds and to their use, optionally in combination with a GABA B agonist, for the inhibition of transient lower esophageal sphincter relaxations, for the treatment of gastroesophageal reflux disease, as well as for the treatment of functional gastrointestinal disorders and irritable bowel syndrome (IBS).
    本发明涉及具有正向别构GABAB受体(CUR)调节剂作用的新型咪唑化合物,以及所述化合物的制备方法及其使用,可选地与GABAB激动剂结合,用于抑制瞬时下食管括约肌松弛,用于治疗胃食管反流病,以及用于治疗功能性胃肠疾病和肠易激综合征(IBS)。
  • Quinoline Compounds
    申请人:Cheng Leifeng
    公开号:US20090088441A1
    公开(公告)日:2009-04-02
    The present invention relates to novel compounds of the general formula (I) wherein R 1 , R 4 , R 5 and X are as defined, having a positive allosteric GABA B receptor (GBR) modulator effect, methods for the preparation of said compounds and to their use, optionally in combination with a GABA B agonist, for the inhibition of transient lower esophageal sphincter relaxations, for the treatment of gastroesophageal reflux disease, as well as for the treatment of functional gastrointestinal disorders and irritable bowel syndrome (IBS).
    本发明涉及一般式(I)的新化合物,其中R1、R4、R5和X如定义,具有正向变构GABAB受体(GBR)调节剂作用,所述化合物的制备方法及其使用,可选地与GABAB激动剂结合,用于抑制瞬时下食管括约肌松弛,治疗胃食管反流病,以及治疗功能性胃肠疾病和肠易激综合征(IBS)。
  • Phosphite ester stabilizers
    申请人:Ciba-Geigy Corporation
    公开号:US04333868A1
    公开(公告)日:1982-06-08
    Compounds of the formula I ##STR1## in which R.sub.1 and R.sub.2 independently of one another denote alkyl, cycloalkyl or aralkyl, R.sub.3 denotes hydrogen or, conjointly with R.sub.1, denotes tetramethylene, R.sub.4 denotes hydrogen or lower alkyl or, conjointly with R.sub.2, denotes tetramethylene, R.sub.5 denotes hydrogen, alkyl, aralkyl, acyloxyalkyl, oxaalkyl or phenyl, R.sub.6 denotes hydrogen, alkyl, phenyl or the group ##STR2## or, conjointly with R.sub.5, denotes alkylene, R.sub.7 denotes hydrogen, alkyl, phenyl, benzyl or alkylphenyl or, conjointly with R.sub.5 or R.sub.6, denotes alkylene or, conjointly with R.sub.5 and R.sub.6, denotes alkanetriyl, R.sub.5, R.sub.6 and R.sub.7 together containing at least one carbon atom, Y denotes --O-- or --NH--, P denotes 1, 2, 3 or 4 and A denotes hydrogen or a group which is derived from an organic or inorganic oxygen acid A-(OH).sub.p, are suitable for stabilizing organic material against thermo-oxidative degradation.
    式I的化合物##STR1##中,其中R.sub.1和R.sub.2分别表示烷基,环烷基或芳基,R.sub.3表示氢或与R.sub.1共同表示四亚甲基,R.sub.4表示氢或较低的烷基或与R.sub.2共同表示四亚甲基,R.sub.5表示氢,烷基,芳基,酰氧烷基,氧代烷基或苯基,R.sub.6表示氢,烷基,苯基或该基团##STR2##或与R.sub.5共同表示亚烷基,R.sub.7表示氢,烷基,苯基,苄基或烷基苯基或与R.sub.5或R.sub.6共同表示亚烷基或与R.sub.5和R.sub.6共同表示烷基三基,R.sub.5,R.sub.6和R.sub.7共同含有至少一个碳原子,Y表示--O--或--NH--,P表示1,2,3或4,A表示氢或源自有机或无机氧酸A-(OH).sub.p的基团,适用于稳定有机材料抵抗热氧化降解。
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