oxalamic Acid Tert-butyl Ester | 35454-04-7

• 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: oxalamic Acid Tert-butyl Ester
• 英文别名: Boc-amino ketone；tert-Butyl-oxamat；tert-Butyloxamat；t-Butyl-oxamat；Tert-butyl 2-amino-2-oxoacetate
• CAS: 35454-04-7
• 化学式: C₆H₁₁NO₃
• mdl: MFCD19203739
• 分子量: 145.158
• InChiKey: ZQRDALWGTYZXQR-UHFFFAOYSA-N

物化性质

• 熔点：
  89.5-90.5 °C
• 沸点：
  208.7±23.0 °C(Predicted)
• 密度：
  1.100±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  oxalamic Acid Tert-butyl Ester 在 ammonium hydroxide 、 三氟乙酸酐 作用下， 以 吡啶 为溶剂， 生成 氨基甲酸叔丁酯
  参考文献：
  名称：

  New Methods of Introducing the Carbo-t-butoxy Protective Group. Preparation of t-Butyl Cyanoformate¹

  摘要：

  DOI：

  10.1021/ja01496a018
• 作为产物：
  描述：

  乙二酸 1-(1,1-二甲基乙基) 2-乙酯 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 生成 oxalamic Acid Tert-butyl Ester
  参考文献：
  名称：

  New Methods of Introducing the Carbo-t-butoxy Protective Group. Preparation of t-Butyl Cyanoformate¹

  摘要：

  DOI：

  10.1021/ja01496a018

文献信息

• Modulators of protein tyrosine phosphatases (PTPases)
  申请人：——

  公开号：US20020099073A1

  公开（公告）日：2002-07-25

  The present invention provides novel thienopyridines, novel compositions, methods of their use, and methods of their manufacture, where such compounds of Formula 1 are pharmacologically useful inhibitors of Protein Tyrosine Phosphatases (PTPase's) including PTP1B, T cell PTP (TC-PTP), 1 wherein X, R 1 , R 2 , R 3 , and R 4 are defined more fully in the description. The compounds are useful in the treatment of type 1 diabetes, type 2 diabetes, impaired glucose tolerance, insulin resistance, obesity, and other diseases.

  本发明提供了新型噻吩吡啶类化合物，新型组合物，其使用方法以及其制备方法，其中Formula 1的这类化合物在药理学上是蛋白酪氨酸磷酸酶（PTPase's）的有效抑制剂，包括PTP1B，T细胞PTP（TC-PTP）， 其中X，R1，R2，R3和R4在描述中有更详细的定义。这些化合物在治疗1型糖尿病，2型糖尿病，糖耐量受损，胰岛素抵抗，肥胖和其他疾病中是有用的。
• Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE)
  申请人：——

  公开号：US20030130273A1

  公开（公告）日：2003-07-10

  The present application describes novel hydantoin derivatives of formula (I): 1 or pharmaceutically acceptable salt or prodrug forms thereof, wherein A, B, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 11 , and n are defined in the present specification, which are useful as inhibitors of matrix metalloproteinases (MMP), TNF-&agr; converting enzyme (TACE), aggrecanase, or a combination thereof.

  本申请描述了具有以下式(I)的新型咪唑啉衍生物：1或其药用可接受的盐或前药形式，其中A、B、R1、R2、R3、R4、R5、R6、R7、R11和n在本说明书中有定义，这些衍生物可用作基质金属蛋白酶（MMP）、TNF-α转化酶（TACE）、聚集素酶的抑制剂，或其组合。
• [EN] 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS<br/>[FR] 5-(PHÉNYL/PYRIDINYL-ÉTHINYL)-2-PYRIDINE/2 PYRIMIDINE-CARBOXAMIDES COMME MODULATEUR DE MGLUR5
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012143340A1

  公开（公告）日：2012-10-26

  The present invention relates to ethynyl derivatives of formula (I), wherein, Y is N or C-R3;and R3 is hydrogen, methyl, halogen or nitrile; R1 is phenyl or pyridinyl, which are optionally substituted by halogen, lower alkyl or lower alkoxy; R2/R2' are independently from each other hydrogen, lower alkyl or lower alkyl substituted by halogen, or R2 and R2' may form together with the N-atom to which they are attached a morpholine ring, a piperidine ring or an azetidine ring, which are unsubstituted or substituted one or more substituents selected from lower alkoxy, halogen, hydroxy or methyl; R4/R4' are independently from each other hydrogen or lower alkyl, or R4 and R4' form together a C3-5 cycloalkyl-, tetrahydrofuran- or an oxetane-ring; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. It has now surprisingly been found that the compounds of general formula (I) are positive allosteric modulators (PAM) of the metabotropic glutamate receptor subtype 5 (mGluR5).

  本发明涉及公式（I）的乙炔衍生物，其中，Y是N或C-R3；R3是氢、甲基、卤素或腈基；R1是苯基或吡啶基，可以选择地被卤素、低烷基或低烷氧基取代；R2/R2'分别是氢、低烷基或被卤素取代的低烷基，或者R2和R2'可以与它们连接的N原子一起形成吗啡啉环、哌啶环或氮杂环，该环未被取代或被一个或多个从低烷氧基、卤素、羟基或甲基中选择的取代基取代；R4/R4'分别是氢或低烷基，或者R4和R4'一起形成C3-5环烷基、四氢呋喃环或氧杂环；或者是药学上可接受的酸盐，或者是消旋混合物，或者是其对应的对映体和/或光学异构体和/或立体异构体。令人惊讶的是发现，通用公式（I）的化合物是代谢型谷氨酸受体亚型5（mGluR5）的阳性变构调节剂（PAM）。
• Modulators of Protein Tyrosine Phosphatases (PTPases)
  申请人：——

  公开号：US20020151561A1

  公开（公告）日：2002-10-17

  The present invention provides novel thienopyridines, novel compositions, methods of their use, and methods of their manufacture, where such compounds of Formula 1 are pharmacologically useful inhibitors of Protein Tyrosine Phosphatases (PTPase's) including PTP1B, T cell PTP, 1 wherein X, R 1 , R 2 , R 3 , and R 4 are defined more fully in the description. The compounds are useful in the treatment of type 1 diabetes, type 2 diabetes, impaired glucose tolerance, insulin resistance, obesity, and other diseases.

  本发明提供了新型噻吩吡啶类化合物，新型组合物，其使用方法以及制备方法，其中Formula 1中的这些化合物在药理学上是蛋白酪氨酸磷酸酶（PTPase's）的有用抑制剂，包括PTP1B、T细胞PTP等，其中X、R1、R2、R3和R4在描述中有更详细的定义。这些化合物在治疗1型糖尿病、2型糖尿病、糖耐量受损、胰岛素抵抗、肥胖和其他疾病方面具有用处。
• Hypoiodite reaction: the decomposition of oxalic acid half-esters
  作者：K. Bartel、A. Goosen、A. Scheffer

  DOI：10.1039/j39710003766

  日期：——

  Alkyl half-esters of oxalic acid photolysed with mercury(II) oxide–iodine reagent gave mainly dialkyl oxalates. 1-Apocamphyl hydrogen oxalate gave, in addition to the diester, 1-apocamphyl iodide. 9-Triptycyl hydrogen oxalate gave 9-triptycyl iodoformate, which was thermally decomposed to 9-iodotriptycene and with silver tetrafluoroborate gave 9-triptycyl fluoroformate. We suggest that diester formation

  草酸的烷基半酯与氧化汞（II）-碘试剂光解后，生成的主要是草酸二烷基酯。除二酯外，1-阿朴茶酸草酸氢盐还产生了1-阿朴茶酸碘化物。9-三苯甲基草酸氢酯产生9-三苯甲基碘甲酸酯，将其热分解成9-碘三苯并噻吩，并与四氟硼酸银一起产生9-三苯甲基氟甲酸酯。我们建议通过中间烷氧基羰基基团的偶联发生二酯形成。