tert-butyl 4-hydroxy-3-methylbenzoate | 1202891-23-3

• 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: tert-butyl 4-hydroxy-3-methylbenzoate
• CAS: 1202891-23-3
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: ZDWSTZBOLFIJIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-hydroxy-3-methylbenzoate 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 氯化亚砜 、 偶氮二异丁腈 、 palladium 10% on activated carbon 、 氢气 、 双(三甲基硅烷基)氨基钾 、 potassium carbonate 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 、 苯 为溶剂， 反应 126.92h， 生成 (+)-dictyoceratin-C
  参考文献：
  名称：

  Enantioselective synthesis of dictyoceratin-A (smenospondiol) and -C, hypoxia-selective growth inhibitors from marine sponge

  摘要：

  Total syntheses of (+)-dictyoceratin-C (1) and (+)-dictyoceratin-A (smenospondiol) (2), hypoxia-selective growth inhibitors isolated from marine sponge, were executed. The absolute stereochemistry of the each compound was determined through the enantioselective total syntheses of them. It revealed that the unnatural enantiomers of them also exhibited the hypoxia-selective growth inhibitory activity against human prostate cancer DU-145 cells. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.01.021
• 作为产物：
  描述：

  4-羟基-3-甲基苯甲酸 、 叔丁醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.5h， 以99%的产率得到tert-butyl 4-hydroxy-3-methylbenzoate
  参考文献：
  名称：

  Enantioselective synthesis of dictyoceratin-A (smenospondiol) and -C, hypoxia-selective growth inhibitors from marine sponge

  摘要：

  Total syntheses of (+)-dictyoceratin-C (1) and (+)-dictyoceratin-A (smenospondiol) (2), hypoxia-selective growth inhibitors isolated from marine sponge, were executed. The absolute stereochemistry of the each compound was determined through the enantioselective total syntheses of them. It revealed that the unnatural enantiomers of them also exhibited the hypoxia-selective growth inhibitory activity against human prostate cancer DU-145 cells. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.01.021

文献信息

• [EN] 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS D'ACIDE 7-PHÉNOXYCHROMANECARBOXYLIQUE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2010075200A1

  公开（公告）日：2010-07-01

  Compounds of Formula I: (I) in which A, A1, R1, R7a, R7b, R8 and R10 have the meanings given in the specification, are DP2 receptor inhibitors useful in the treatment of useful in the treatment and prevention of immunologic diseases, allergic diseases such as asthma, allergic rhinitis and atopic dermatitis, and other inflammatory diseases mediated by prostaglandin D2 (PGD2). The compounds of Formula I may also be useful in treating diseases or medical conditions involving the Th2 T cell via production of IL-4, IL-5 and/or IL-13.

  化合物的化学式I：（I），其中A，A1，R1，R7a，R7b，R8和R10具有规范中给定的含义，是DP2受体抑制剂，在治疗免疫性疾病、过敏性疾病（如哮喘、过敏性鼻炎和特应性皮炎）以及由前列腺素D2（PGD2）介导的其他炎症性疾病的治疗中有用。化合物的化学式I也可能在治疗涉及Th2 T细胞通过IL-4、IL-5和/或IL-13产生的疾病或医疗状况中有用。
• [EN] 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS DE L'ACIDE CARBOXYLIQUE PHÉNOXYCHROMANE SUBSTITUÉS EN 6
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2009158426A1

  公开（公告）日：2009-12-30

  Compounds of Formula (I): in which A1, A2, W, L, G, R7a, R7b, R8, R9 and R10 have the meanings given in the specification, are DP2 receptor modulators useful in the treatment of immunologic diseases.

  式（I）的化合物：其中A1、A2、W、L、G、R7a、R7b、R8、R9和R10具有规范中给定的含义，是DP2受体调节剂，可用于治疗免疫性疾病。
• 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES
  申请人：Burgess Laurence E.

  公开号：US20110105463A1

  公开（公告）日：2011-05-05

  Compounds of Formula (I): in which A 1 , A 2 , W, L, G, R 7a , R 7b , R 8 , R 9 and R 10 have the meanings given in the specification, are DP2 receptor modulators useful in the treatment of immunologic diseases.

  式(I)的化合物：其中A1、A2、W、L、G、R7a、R7b、R8、R9和R10的含义如规范中所述，是DP2受体调节剂，对治疗免疫疾病有用。
• 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES
  申请人：Cook Adam

  公开号：US20120101103A1

  公开（公告）日：2012-04-26

  Compounds of Formula I: (I) in which A, A 1 , R 1 , R 7a , R 7b , R 8 and R 10 have the meanings given in the specification, are DP2 receptor inhibitors useful in the treatment of useful in the treatment and prevention of immunologic diseases, allergic diseases such as asthma, allergic rhinitis and atopic dermatitis, and other inflammatory diseases mediated by prostaglandin D 2 (PGD 2 ). The compounds of Formula I may also be useful in treating diseases or medical conditions involving the Th2 T cell via production of IL-4, IL-5 and/or IL-13.

  化合物公式I：（I），其中A，A1，R1，R7a，R7b，R8和R10的含义如规范中所述，是DP2受体抑制剂，可用于治疗免疫性疾病、过敏性疾病（如哮喘、过敏性鼻炎和特应性皮炎）以及通过前列腺素D2（PGD2）介导的其他炎症性疾病的治疗和预防。公式I的化合物还可用于治疗涉及Th2 T细胞通过产生IL-4、IL-5和/或IL-13的疾病或医疗条件。
• 6-substituted phenoxychroman carboxylic acid derivatives
  申请人：Burgess Laurence E.

  公开号：US08569522B2

  公开（公告）日：2013-10-29

  Compounds of Formula (I): in which A1, A2, W, L, G, R7a, R7b, R8, R9 and R10 have the meanings given in the specification, are DP2 receptor modulators useful in the treatment of immunologic diseases.

  式(I)的化合物：其中A1，A2，W，L，G，R7a，R7b，R8，R9和R10具有规范中给出的含义，是DP2受体调节剂，可用于治疗免疫性疾病。