碳酸二叔丁酯 | 34619-03-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 碳酸二叔丁酯
• 英文名称: tert-butyldicarbonate
• 英文别名: Di-tert-butyl carbonate；Boc₂O；tert-butyl carbonate；(Boc)₂；ditert-butyl carbonate
• CAS: 34619-03-9
• 化学式: C₉H₁₈O₃
• 分子量: 174.24
• InChiKey: ODCCJTMPMUFERV-UHFFFAOYSA-N

物化性质

• 熔点：
  40°C
• 沸点：
  245.22°C (rough estimate)
• 密度：
  1.0069 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放温度应保持在2-8°C，需干燥并密封保存。

反应信息

• 作为反应物：
  描述：

  碳酸二叔丁酯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 72.08h， 生成 tert-butyl (10S)-10-methyl-9,10-dihydro-8H-imidazo[1',2':1,2]imidazo[4,5-c]quinoline-8-carboxylate
  参考文献：
  名称：

  WO2007/106852

  摘要：

  公开号：
• 作为产物：
  描述：

  光气 、 potassium tert-butylate 在 正己烷 、 氮气 作用下， 生成 碳酸二叔丁酯
  参考文献：
  名称：

  Formation of Carbenes from α-Haloesters¹

  摘要：

  DOI：

  10.1021/jo01105a033
• 作为试剂：
  描述：

  benzyl N-[(6S)-4-oxo-6-(phenylcarbamoyl)-8,8-dipropyl-6,7-dihydropyrrolo[1,2-a]pyrimidin-3-yl]-N-prop-2-enylcarbamate 在 4-二甲氨基吡啶 、 碳酸二叔丁酯 、 lithium hydroxide 作用下， 生成 (6S)-4-oxo-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-8,8-dipropyl-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
  参考文献：
  名称：

  Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF–FVIIa inhibitors

  摘要：

  Bicyclic pyrazinone and pyrimidinone amides were designed and synthesized as potent TF-FVIIa inhibitors. SAR demonstrated that the S2 and S3 pockets of FVIIa prefer to bind small, lipophilic groups. An Xray crystal structure of optimized compound 9b bound in the active site of FVIIa showed that the bicyclic scaffold provides 5 hydrogen bonding interactions in addition to projecting groups for interactions within the S1, S2 and S3 pockets. Compound 9b showed excellent FVIIa potency, good selectivity against FIXa, Xa, XIa and chymotrypsin, and good clotting activity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.094

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Small molecules for treatment of hypercholesterolemia and related diseases
  申请人：Sircar C. Jagadish

  公开号：US20050277690A1

  公开（公告）日：2005-12-15

  The present invention provides compositions adapted to enhance reverse cholesterol transport in mammals. The compositions are suitable for oral delivery and useful in the treatment and/or prevention of hypercholesterolemia, atherosclerosis and associated cardiovascular diseases.

  本发明提供了适用于增强哺乳动物体内逆向胆固醇转运的组合物。这些组合物适合口服给药，并可用于治疗和/或预防高胆固醇血症、动脉粥样硬化及相关心血管疾病。
• [EN] QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS<br/>[FR] COMPOSÉS DONNEURS D'OXYDE NITRIQUE À BASE DE QUINONE
  申请人：NICOX SA

  公开号：WO2013060673A1

  公开（公告）日：2013-05-02

  The present invention relates to nitric oxide donor compounds having a quinone based structure, to processes for their preparation and to their use in the treatment of pathological conditions where a deficit of NO plays an important role in their pathogenesis.

  本发明涉及具有喹诚基结构的一氧化氮供体化合物，涉及其制备方法以及它们在治疗病理状况中的应用，其中一氧化氮缺乏在它们的发病机制中起重要作用。
• CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF
  申请人：PFIZER INC.

  公开号：US20130129753A1

  公开（公告）日：2013-05-23

  The present invention is directed to cytotoxic pentapeptides, to antibody drug conjugates thereof, and to methods for using the same to treat cancer.

  本发明涉及细胞毒性五肽，其抗体药物偶联物，以及使用它们治疗癌症的方法。
• Water soluble multi-biotin-containing compounds
  申请人：Wilbur Scott D.

  公开号：US20060228325A1

  公开（公告）日：2006-10-12

  Water-soluble discrete multi-biotin-containing compounds with at least three (3) biotin moieties are disclosed. The water-soluble biotin-containing compounds may additionally comprise one or more moieties that confer resistance to cleavage by biotinidase or that is cleavable in vitro or in vivo. The discrete multi-biotin-containing compounds may include a reactive moiety that provides a site for reaction with yet another moiety, such as a targeting, diagnostic or therapeutic functional moiety. Biotinylation reagents comprising water-soluble linker moieties are also disclosed and may additionally comprise a biotinidase protective group. Methods for amplifying the number of sites for binding biotin-binding proteins at a selected target using multi-biotin compounds also are disclosed.

  可溶于水的离散多生物素含有化合物，至少含有三个（3）生物素基团。这些可溶于水的生物素含有化合物可能还包括一个或多个使其对生物素酶的裂解具有抗性的基团，或者在体外或体内可被裂解的基团。这些离散的多生物素含有化合物可能包括一个反应性基团，提供与另一个基团（如靶向、诊断或治疗功能基团）反应的位点。还公开了包含可溶于水的连接基团的生物素化试剂，可能还包括生物素酶保护基团。还公开了使用多生物素化合物扩增在选定靶点上结合生物素结合蛋白的位点数量的方法。