3-二苯基-4-基-3-氧-丙 酸 甲基 酯 | 56216-10-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-二苯基-4-基-3-氧-丙 酸 甲基 酯
• 中文别名: 3-二苯基-4-基-3-氧-丙酸甲基酯
• 英文名称: methyl 3-biphenyl-4-yl-3-oxopropanoate
• 英文别名: methyl 3-([1,1'-biphenyl]-4-yl)-3-oxopropanoate；p-Phenylbenzoyl-essigsaeure-methylester；methyl-4-phenylbenzoylacetate；p-phenylbenzoyl acetic acid methyl ester；methyl 3-biphenyl-4-yl-3-oxo-propionate；methyl 3-oxo-3-(4-phenylphenyl)propanoate
• CAS: 56216-10-5
• 化学式: C₁₆H₁₄O₃
• mdl: MFCD03424765
• 分子量: 254.285
• InChiKey: TYIZFWZJRSSQBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  3-二苯基-4-基-3-氧-丙 酸 甲基 酯 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 12.0h， 生成 4-(biphenyl-4-yl)-4-oxobutyric acid
  参考文献：
  名称：

  β-酮酸与 C-炔基 N-Boc N,O-缩醛的对映选择性脱羧曼尼希反应：获得手性 β-酮炔丙基胺

  摘要：

  手性酮基取代的炔丙基胺是有机和药物合成领域必不可少的一类多功能化合物，受到了广泛关注，但相关的合成方法仍然有限。因此，通过手性磷酸催化 β-酮酸与C-炔基 N - Boc N , O-缩醛作为容易获得的C-炔基亚胺前体的不对称曼尼希反应，一种简洁有效的对映选择性合成 β-酮炔丙基胺的方法这里已经证明，提供广泛的 β-酮N-Boc-炔丙基胺具有高产率（高达 97%），通常具有高对映选择性（高达 97 : 3 er）。

  DOI：

  10.1039/d1ob01555a
• 作为产物：
  描述：

  4-苯基苯甲酸 在 三乙胺 、 magnesium chloride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 4.0h， 生成 3-二苯基-4-基-3-氧-丙 酸 甲基 酯
  参考文献：
  名称：

  Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist

  摘要：

  A series of substituted-isoxazole derivatives was prepared as candidate farnesoid X receptor (FXR) antagonists, based on our previously proposed ligand superfamily concept. Structure-activity relationship studies indicated that the shape and the structural bulkiness of the substituent at the 5-position of the isoxazole ring affected FXR-antagonistic activity. Compounds 15g (5-substituent: 2-naphthyl) and 15h (5-substituent: 4-biphenyl) were identified as potent antagonists with higher selectivity for FXR over progesterone receptor than the naturally occurring FXR antagonist GS. The 5-substituent is also a critical determinant of the characteristic corepressor recruitment profile of this class of FXR antagonists, though distinct mechanisms appear to be involved: 15h stabilizes the corepressor-nuclear receptor interaction, while 15g inhibits coactivator recruitment. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.01.046

文献信息

• PYRAZOLE COMPOUNDS AND USE THEREOF
  申请人：Takagi Masaki

  公开号：US20090036450A1

  公开（公告）日：2009-02-05

  The pyrazole compound of the present invention is represented by the following general formula (I). The pyrazole compound of the present invention or a salt thereof or a solvate thereof potently inhibits liver glycogen phosphorylase, and, therefore, is useful as a therapeutic or prophylactic agent for diabetes. wherein each symbol denotes as described in the specifications.

  本发明的吡唑化合物由以下一般式（I）表示。本发明的吡唑化合物或其盐或溶剂化物强力抑制肝糖原磷酸化酶，因此，可用作糖尿病的治疗或预防剂。其中，每个符号如规范中所述。
• CAN-Catalyzed Rapid C–O Bond Formation towards α-Aminoxylation of Ketones
  作者：Ning Jiao、Peng Feng、Song Song、Li-He Zhang

  DOI：10.1055/s-0034-1379102

  日期：——

  A simple and efficient approach towards α-oxyaminated ketones has been developed through CAN-catalyzed C–O bond formation with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO). The environmentally friendly transformation is practical due to the use of commercial available catalyst, easy operating procedures, the broad substrate scope, and short reaction time.

  通过 CAN 催化的 C-O 键与 2,2,6,6-四甲基哌啶-1-氧基（TEMPO）形成，开发了一种简单有效的 α-氧胺化酮方法。由于使用市售催化剂、操作简单、底物范围广、反应时间短，这种环保转化是可行的。
• IBX-Promoted Oxidative Cyclization of <i>N</i>-Hydroxyalkyl Enamines: A Metal-Free Approach toward 2,3-Disubstituted Pyrroles and Pyridines
  作者：Peng Gao、Huai-Juan Chen、Zi-Jing Bai、Mi-Na Zhao、Desuo Yang、Juan Wang、Ning Wang、Lele Du、Zheng-Hui Guan

  DOI：10.1021/acs.joc.0c00625

  日期：2020.6.19

  An iodoxybenzoic acid-mediated selected oxidative cyclization of N-hydroxyalkyl enamines was developed. Through this strategy, a variety of 2,3-disubstituted pyrroles and pyridines were produced in good selectivity involving oxidation of alcohol, followed by condensation of aldehyde and α-C of enamines. Furthermore, this metal-free method has several advantages, including the use of environmentally

  开发了碘氧基苯甲酸介导的N-羟烷基烯胺的选择氧化环化。通过这种策略，以良好的选择性生产了各种2,3-二取代的吡咯和吡啶，涉及醇的氧化，然后醛与烯胺的α-C缩合。此外，这种无金属方法具有多个优点，包括使用环保试剂，广泛的底物范围，温和的反应条件和高效率。
• Selective cleaving the N P bond of difluoromethylene phosphabetaines for effective synthesis of β-ketoamides
  作者：Yingle Liu、Tao Yang、Yuting Dong、Junjie Cai、Gen Luo、Xia Tong、Yan Jiang、Yi Yang、Xiu-Hua Xu

  DOI：10.1016/j.tetlet.2019.06.036

  日期：2019.7

  from β-ketoesters is described. This method involves selective cleaving NP bond of an unusual aminating reagent, [tris(dimethylamino)phosphonio]difluoroacetate (ADFA), which is well known as the difluoromethylene ylide precursor. The process is notable for its operational simplicity and good functional group tolerance.

  描述了一种从β-酮酸酯合成β-酮酰胺的前所未有的无过渡金属方案。该方法涉及选择性裂解不常见的胺化试剂三（二甲基氨基）膦二氟乙酸酯（ADFA）的N P键，其众所周知为二氟亚甲基叶立德前体。该过程以其操作简单性和良好的功能组容忍度而著称。
• Direct Access to Highly Substituted 1-Naphthols through Palladium-Catalyzed Oxidative Annulation of Benzoylacetates and Internal Alkynes
  作者：Shiyong Peng、Lei Wang、Jian Wang

  DOI：10.1002/chem.201302740

  日期：2013.9.27

  One for the pot: 1‐Naphthols, well‐known structural design elements in medicinal chemistry, were readily prepared by means of a one‐pot palladium‐catalyzed oxidative annulation of readily available benzoylacetates to internal alkynes (see scheme).

  一个适合使用的锅：1-萘酚是药物化学中众所周知的结构设计元素，可通过将易获得的苯甲酰乙酸酯进行一锅钯催化氧化制得内部炔烃的方法很容易地制备。