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

• Synthesis of α-acetoxy and formyloxy ketones by thallium(iii) promoted α-oxidation
  作者：Jong Chan Lee、Yong Suk Jin、Ju-Hee Choi

  DOI：10.1039/b102192n

  日期：——

  Treatment of ketones with thallium(III) triflate in amide solvents at 60 °C for 30 min followed by addition of small amounts of H2O cleanly provided the corresponding α-acyloxy ketones.

  在 60 °C 的酰胺溶剂中用三氟甲磺酸铊 (III) 处理酮 30 分钟，然后加入少量 H2O，干净地提供相应的 α-酰氧基酮。
• 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。