2,2-二氟丁酸甲酯 | 86966-96-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,2-二氟丁酸甲酯
• 英文名称: Methyl 2,2-difluorobutanoate
• 英文别名: methyl 2,2-difluorobutyrate
• CAS: 86966-96-3
• 化学式: C₅H₈F₂O₂
• 分子量: 138.114
• InChiKey: UCEIWNYPVCASEM-UHFFFAOYSA-N

物化性质

• 沸点：
  4043 °C
• 密度：
  1.1798 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-二氟丁酸甲酯 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 2,2-Difluoro-1-methoxy-1-butanol
  参考文献：
  名称：

  Conversion of .alpha.-Keto Esters into .beta.,.beta.-Difluoro-.alpha.-keto Esters and Corresponding Acids: A Simple Route to a Novel Class of Serine Protease Inhibitors

  摘要：

  The preparation of a series of beta,beta-difluoro-alpha-keto esters and corresponding acids RCF(2)COCO(2)R' (R = Me, Et; i-Pr, Bn, and Ph; R' = Et and H), designed as potential inhibitors of serine proteases, is described. The standard procedure developed consists in the initial formation of an alpha,alpha-difluoro ester from an alpha-keto ester, followed by a simple four-step sequence involving the synthesis of hemiacetal, cyanohydrin, and alpha-hydroxy ester difluorinated intermediates. This method provides an easy route to beta,beta-difluoro-alpha-keto esters and corresponding acids, via ''formal'' insertion of a difluoromethylene group between the R substituent and the alpha-carbonyl group of a generic alpha-keto ester.

  DOI：

  10.1021/jo00121a040
• 作为产物：
  描述：

  2-氧代丁酸甲酯 在 (diethylamido)sulfur trifluoride 作用下， 反应 1.0h， 以50%的产率得到2,2-二氟丁酸甲酯
  参考文献：
  名称：

  Conversion of .alpha.-Keto Esters into .beta.,.beta.-Difluoro-.alpha.-keto Esters and Corresponding Acids: A Simple Route to a Novel Class of Serine Protease Inhibitors

  摘要：

  The preparation of a series of beta,beta-difluoro-alpha-keto esters and corresponding acids RCF(2)COCO(2)R' (R = Me, Et; i-Pr, Bn, and Ph; R' = Et and H), designed as potential inhibitors of serine proteases, is described. The standard procedure developed consists in the initial formation of an alpha,alpha-difluoro ester from an alpha-keto ester, followed by a simple four-step sequence involving the synthesis of hemiacetal, cyanohydrin, and alpha-hydroxy ester difluorinated intermediates. This method provides an easy route to beta,beta-difluoro-alpha-keto esters and corresponding acids, via ''formal'' insertion of a difluoromethylene group between the R substituent and the alpha-carbonyl group of a generic alpha-keto ester.

  DOI：

  10.1021/jo00121a040

文献信息

• [EN] IMIDAZOPYRIDINE EZH2 INHIBITORS<br/>[FR] INHIBITEURS D'EZH2 DE TYPE IMIDAZOPYRIDINE
  申请人：BAYER PHARMA AG

  公开号：WO2016102493A1

  公开（公告）日：2016-06-30

  The present invention relates to imidazopyridines of general formula (I), to a method for their preparation, to intermediates for their preparation, to pharmaceutical compositions comprising at least one of those compounds, and to the use thereof.

  本发明涉及通式（I）的咪唑吡啶化合物，以及其制备方法、制备中间体、包含至少一种该化合物的药物组合物和其用途。
• [EN] FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMÉTHYL-1,4- DIHYDROPYRIDINE À SUBSTITUTION FLUORO ET LEURS MÉTHODES D'UTILISATION
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2011042368A1

  公开（公告）日：2011-04-14

  The present invention relates to novel fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives having protein tyrosine kinase inhibitory activity, to a process for the manufacture thereof and to the use thereof for the treatment of c-Met-mediated diseases or c-Met-mediated conditions, particularly cancer and other proliferative disorders.

  本发明涉及具有蛋白酪氨酸激酶抑制活性的新型氟代取代的3,5-二氰基-4-(1H-吲哚-5-基)-2,6-二甲基-1,4-二氢吡啶衍生物，以及其制备方法和用于治疗c-Met介导的疾病或c-Met介导的病况，特别是癌症和其他增生性疾病的用途。
• Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof
  申请人：Michels Martin

  公开号：US20120264785A1

  公开（公告）日：2012-10-18

  The present invention relates to novel fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihy-dropyridine derivatives having protein tyrosine kinase inhibitory activity, to a process for the manufacture thereof and to the use thereof for the treatment of c-Met-mediated diseases or c-Met-mediated conditions, particularly cancer and other proliferative disorders.

  本发明涉及一种具有蛋白酪氨酸激酶抑制活性的新型氟取代的3,5-二氰基-4-(1H-吲唑-5-基)-2,6-二甲基-1,4-二氢-吡啶衍生物，以及其制造方法和用于治疗c-Met介导的疾病或c-Met介导的病状，特别是癌症和其他增殖性疾病的用途。
• PGD2 receptor antagonists for the treatment of inflammatory diseases
  申请人：Ghosh Shomir

  公开号：US20090181966A1

  公开（公告）日：2009-07-16

  Disclosed herein are compounds represented by Structural Formula (I) and (I-A): Also disclosed is the use of such compounds for inhibiting the G-protein coupled receptor referred to as chemoattractant receptor-homologous molecule expressed on Th2, or simply “CRTH2” for the treatment of inflammatory disorders. The variables in Structural Formula (I) and (I-A) are defined herein.

  本文公开了由结构式（I）和（I-A）表示的化合物： 同时，还公开了使用这些化合物抑制G蛋白偶联受体，称为趋化因子受体同源分子表达在Th2上，或简称为“CRTH2”治疗炎症性疾病的方法。结构式（I）和（I-A）中的变量在本文中有定义。
• Chuvatkin, N. N.; Morozova, T. V.; Boguslavskaya, L. S., Journal of Organic Chemistry USSR (English Translation), 1983, p. 990 - 991
  作者：Chuvatkin, N. N.、Morozova, T. V.、Boguslavskaya, L. S.

  DOI：——

  日期：——