1-phenyl-2-(formyloxy)propanone | 172688-05-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-phenyl-2-(formyloxy)propanone
• 英文别名: 2-formyloxy-1-phenyl-propan-1-one；2-Formyloxy-1-phenyl-propan-1-on；1-Methyl-2-oxo-2-phenylethyl formate；Ameisensaeure-<1-benzoyl-ethyl>-ester；(1-oxo-1-phenylpropan-2-yl) formate
• CAS: 172688-05-0
• 化学式: C₁₀H₁₀O₃
• 分子量: 178.188
• InChiKey: KIGVHWJHSNPNJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  278.8±23.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-phenyl-2-(formyloxy)propanone 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 2-羟基苯丙酮
  参考文献：
  名称：

  一种将卤化物转化为醇的简便方法

  摘要：

  摘要 使用甲酸三乙基铵作为甲酰化剂，然后进行酸或碱催化水解，甲酸盐可以置换未活化的伯溴化物和碘化物、烯丙基和苄基伯溴化物和仲溴化物以及伯仲α-溴酮中的卤化物。一种将卤化物转化为醇的有效方法。

  DOI：

  10.1080/00397919508011463
• 作为产物：
  描述：

  Dimethyl-[(1-oxo-1-phenylpropan-2-yl)oxymethylidene]azanium;4-methylbenzenesulfonate 在 水 作用下， 反应 0.25h， 生成 1-phenyl-2-(formyloxy)propanone
  参考文献：
  名称：

  One‐Pot Synthesis of α‐Formyloxy Ketones from Enolizable Ketones

  摘要：

  One-pot synthesis of alpha-formyloxy tones as well as alpha-acetoxy ketones from enolizable ketones and [hydroxy(tosyloxy)iodo] benzene (HTIB)/polymer supported [hydroxy(tosyloxy)iodo]benzene (PSHTIB) in N,N - dimethylformamide (DMF)/N,N - dimethylacetamide (DMA) in high yields is described.

  DOI：

  10.1080/00397910701767049

文献信息

• A Convenient Method for the Conversion of Halides to Alcohols
  作者：Jose Alexander、Mara L. Renyer、Hemalatha Veerapanane

  DOI：10.1080/00397919508011463

  日期：1995.12

  and secondary α-bromoketones by formate, using triethylammonium formate as the formylating agent, followed by acid or base catalyzed hydrolysis has been found to be an efficient method for the conversion of halides to alcohols.

  摘要 使用甲酸三乙基铵作为甲酰化剂，然后进行酸或碱催化水解，甲酸盐可以置换未活化的伯溴化物和碘化物、烯丙基和苄基伯溴化物和仲溴化物以及伯仲α-溴酮中的卤化物。一种将卤化物转化为醇的有效方法。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE
  申请人：Suetsugu Satoshi

  公开号：US20120122773A1

  公开（公告）日：2012-05-17

  The present invention provides a compound of formula (I): wherein R 1a is optionally substituted C 1-6 alkyl, etc.; R 1m is hydrogen atom, etc.; G 1 , G 2 , G 3 and G 4 are (i), etc. ((i) G 1 is —N(R 1b )—, G 2 is —CO—, G 3 is —C(R 1c )(R 1d )—, and G 4 is oxygen, etc.); R 1b is optionally substituted C 1-6 alkyl, etc.; R 1c and R 1d are each independently optionally substituted C 1-6 alkyl, etc.; R 2 is optionally substituted C 1-6 alkyl, etc.; R 3a , R 3b , R 3c and R 3d are each independently a group: -A-B (A is a single bond, etc., B is hydrogen atom, etc.), etc.; n is 1, etc.; R 5 is C 1-4 alkoxycarbonyl, etc., or a pharmaceutically acceptable salt thereof, which is useful as a renin inhibitor.

  本发明提供了一种化合物，其化学式为(I)：其中R1a是可选取代的C1-6烷基等；R1m是氢原子等；G1，G2，G3和G4是(i)等，((i) G1是—N(R1b)—，G2是—CO—，G3是—C(R1c)(R1d)—，G4是氧原子等)；R1b是可选取代的C1-6烷基等；R1c和R1d分别独立地是可选取代的C1-6烷基等；R2是可选取代的C1-6烷基等；R3a、R3b、R3c和R3d分别独立地是一种基团：-A-B（其中A是单键等，B是氢原子等）等；n是1等；R5是C1-4烷氧羰基等，或其药学上可接受的盐，其作为一种肾素抑制剂是有用的。
• N-substituted-cyclic amino derivative
  申请人：Suetsugu Satoshi

  公开号：US08658639B2

  公开（公告）日：2014-02-25

  The present invention provides a compound of formula (I): wherein R1a is optionally substituted C1-6 alkyl, etc.; R1m is hydrogen atom, etc.; G1, G2, G3 and G4 are (i), etc. ((i) G1 is —N(R1b)—, G2 is —CO—, G3 is —C(R1c)(R1d)—, and G4 is oxygen, etc.); R1b is optionally substituted C1-6 alkyl, etc.; R1c and R1d are each independently optionally substituted C1-6 alkyl, etc.; R2 is optionally substituted C1-6 alkyl, etc.; R3a, R3b, R3c and R3d are each independently a group: -A-B (A is a single bond, etc., B is hydrogen atom, etc.), etc.; n is 1, etc.; R5 is C1-4 alkoxycarbonyl, etc., or a pharmaceutically acceptable salt thereof, which is useful as a renin inhibitor.

  本发明提供一种式（I）的化合物：其中R1a是可选取代的C1-6烷基等；R1m是氢原子等；G1、G2、G3和G4是（i）等（（i）G1是-N（R1b）-，G2是-CO-，G3是-C（R1c）（R1d）-，G4是氧等）；R1b是可选取代的C1-6烷基等；R1c和R1d各自独立地是可选取代的C1-6烷基等；R2是可选取代的C1-6烷基等；R3a、R3b、R3c和R3d各自独立地是一个基团：-A-B（A是单键等，B是氢原子等）等；n是1等；R5是C1-4烷氧羰基等，或其药学上可接受的盐，其作为一种肾素抑制剂是有用的。
• 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267A1

  公开（公告）日：2005-07-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and a typical acid-fast bacteria.

  本发明提供了由以下通式代表的 2，3-二氢-6-硝基咪唑并[2，1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和典型的耐酸细菌有很好的杀菌作用。