2-tert-butoxypropionic acid | 87100-50-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-tert-butoxypropionic acid
• 英文别名: 2-(tert-butoxy)propanoic acid；O-tert.-Butyl-DL-milchsaeure；2-[(2-methylpropan-2-yl)oxy]propanoic acid
• CAS: 87100-50-3
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: LLCMVSMCAHTTFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  2-tert-butoxypropionic acid 生成 (S)-2-(tert-butoxy)propanoic acid
  参考文献：
  名称：

  Wasielewski,C., Roczniki Chemii, 1968, vol. 42, # 9, p. 1479 - 1486

  摘要：

  DOI：
• 作为产物：
  描述：

  过氧化丙酸叔丁酯 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 、 正戊烷 为溶剂， 反应 4.0h， 以39%的产率得到2-tert-butoxypropionic acid
  参考文献：
  名称：

  Peroxy esters. 8. Base-catalyzed rearrangement of peroxy esters: formation of alkoxyacetic acid derivatives

  摘要：

  DOI：

  10.1021/jo00169a016

文献信息

• Compounds And Compositions for the Treatment of Ocular Disorders
  申请人：Graybug Vision, Inc.

  公开号：US20170080092A1

  公开（公告）日：2017-03-23

  The disclosure describes prodrugs and derivatives of prostaglandins, carbonic anhydrase inhibitors, kinase inhibitors, beta-adrenergic receptor antagonists and other drugs, as well as controlled delivery formulations containing such prodrugs and derivatives, for the treatment of ocular disorders.

  该披露描述了前药和前列腺素的衍生物、碳酸酐酶抑制剂、激酶抑制剂、β-肾上腺素受体拮抗剂和其他药物，以及含有这些前药和衍生物的受控释放配方，用于治疗眼部疾病。
• [EN] SERINE/THREONINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE SÉRINE/THRÉONINE KINASES
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2015103137A1

  公开（公告）日：2015-07-09

  Compounds of Formula I or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof are provided, which are useful for the treatment of diseases. Methods of using compounds of Formula I or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such diseases, or associated pathological conditions are disclosed.

  提供具有公式I的化合物或其立体异构体、互变异构体或药用可接受盐，这些化合物用于治疗疾病。公开了使用公式I的化合物或其立体异构体、互变异构体或药用可接受盐，用于体外、原位和体内诊断、预防或治疗此类疾病或相关病理状况的方法。
• PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION
  申请人：Hupe Eike

  公开号：US20090156553A1

  公开（公告）日：2009-06-18

  The invention relates to the use of piperazine compounds of formula (I) or the agriculturally useful salts of piperazine compounds of formula (I) as herbicides, the variables in formula (I) being defined as cited in the claims and the description.

  本发明涉及使用式(I)的哌嗪化合物或式(I)的农业有用盐作为除草剂，式(I)中的变量如权利要求书和说明书所述。
• Optically active halohydrin derivative and process for producing optically active epoxy alcohol derivative from the same
  申请人：Okuro Kazumi

  公开号：US20060155136A1

  公开（公告）日：2006-07-13

  The present invention provides an industrially safe, easily operable process for producing an optically active epoxy alcohol derivative useful as an intermediate for pharmaceuticals from inexpensively available materials, and also provides a novel halohydrin derivative serving as an important intermediate for the epoxy alcohol derivative. Furthermore, the present invention provides a process for producing an intermediate for a triazole antifungal agent by allowing a halohydrin to react with a triazole sulfonamide, the process including a small number of steps. A process for producing an optically active epoxy alcohol derivative includes allowing an optically active α-substituted propionate derivative to react with a haloacetic acid derivative in the presence of a base to prepare an optically active haloketone derivative, allowing the resulting haloketone derivative to react with an aryl metal compound to stereoselectively prepare a halohydrin derivative, eliminating a substituent for the hydroxy group of the halohydrin derivative, and performing epoxidation with a base. Furthermore, a process for producing an intermediate for a triazole antifungal agent includes allowing a halohydrin derivative to react with a triazole sulfonamide, the process including a small number of steps.

  本发明提供了一种工业安全、易于操作的过程，用于从价格便宜的原料中生产有用于制药中间体的光学活性环氧醇衍生物，并提供了一种新型的卤代醇衍生物，作为环氧醇衍生物的重要中间体。此外，本发明提供了一种通过让卤代醇与三唑磺酰胺反应来生产三唑类抗真菌剂中间体的过程，包括少量的步骤。生产光学活性环氧醇衍生物的过程包括在碱的存在下让光学活性α-取代丙酸酯衍生物与卤代乙酸衍生物反应，以制备光学活性卤代酮衍生物，让产生的卤代酮衍生物与芳基金属化合物反应，选择性地立体定向制备卤代醇衍生物，消除卤代醇衍生物的羟基取代基，并在碱的存在下进行环氧化。此外，生产三唑类抗真菌剂中间体的过程包括让卤代醇衍生物与三唑磺酰胺反应，该过程包括少量的步骤。
• Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors
  申请人：Chang Han-Ting

  公开号：US20070135383A1

  公开（公告）日：2007-06-14

  The present invention provides methods and compositions for the treatment of phospholipase-related conditions. In particular, the invention provides a method of treating insulin-related, weight-related conditions and/or cholesterol-related conditions in an animal subject. The method generally involves the administration of a non-absorbed and/or effluxed phospholipase A2 inhibitor that is localized in a gastrointestinal lumen.

  本发明提供了治疗磷脂酶相关疾病的方法和组合物。具体地，本发明提供了一种用于治疗动物主体中的胰岛素相关、体重相关和/或胆固醇相关疾病的方法。该方法通常涉及在胃肠道腔中定位的非吸收和/或外流的磷脂酶A2抑制剂的给药。