[甲酰基(甲基)氨基]苯甲酸甲酯 | 5129-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [甲酰基(甲基)氨基]苯甲酸甲酯
• 英文名称: N-Benzoyloxymethyl-N-methyl-formamid
• 英文别名: N-(benzoyloxy)methyl,N-methylformamide；[Formyl(methyl)amino]methyl benzoate
• CAS: 5129-78-2
• 化学式: C₁₀H₁₁NO₃
• 分子量: 193.202
• InChiKey: XHAXUZNMJLXVJO-UHFFFAOYSA-N

物化性质

• 沸点：
  100-110 °C(Press: 0.1 Torr)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 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：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  吲哚 、 [甲酰基(甲基)氨基]苯甲酸甲酯 反应 72.0h， 以71%的产率得到3-(N-formyl,N-methylamino)methylindole
  参考文献：
  名称：

  用BPO和N，N-二甲基酰胺制备Hemiaminal衍生物的新方法及其在（氨甲基）吲哚中的合成用途

  摘要：

  通过在辐射或加热条件下BPO与N，N-二甲基酰胺的反应，可以以高收率获得Hemiaminal衍生物。通过使用血红素衍生物，可以通过弗瑞德-克来福特烷基化反应还原带有（N-酰基，N-甲基氨基）甲基的吲哚，从而平稳地获得带有（N-烷基，N-甲基氨基）甲基的吲哚。吲哚和半胱氨酸衍生物。

  DOI：

  10.1002/ejoc.202000680
• 作为产物：
  描述：

  phenylcarbonyloxy radical 、 N,N-二甲基甲酰胺 生成 [甲酰基(甲基)氨基]苯甲酸甲酯
  参考文献：
  名称：

  Eberson, Lennart, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1980, vol. 34, # 7, p. 481 - 492

  摘要：

  DOI：

文献信息

• Bu4NI-catalyzed decarboxylative acyloxylation of an sp3 C–H bond adjacent to a heteroatom with α-oxocarboxylic acids
  作者：Shuai Zhang、Li-Na Guo、Hua Wang、Xin-Hua Duan

  DOI：10.1039/c3ob40748a

  日期：——

  A novel metal-free decarboxylative acyloxylation of an sp3 C–H bond in formamides and ethers has been explored. A variety of N-acyloxymethylamides and α-acyloxy ethers could be easily synthesized by this method. Preliminary mechanistic studies have shown that the reaction proceeded via a radical process.

  探索了一种新型无金属的脱羧酰氧基化反应，针对甲酰胺和醚中的sp3 C-H键。通过这种方法，可以轻松合成多种N-酰氧甲基酰胺和α-酰氧基醚。初步的机理研究表明，该反应通过自由基过程进行。
• Structural studies on bioactive compounds. 4. A structure-antitumor activity study on analogs of N-methylformamide
  作者：E. Nicholas Gate、Michael D. Threadgill、Malcolm F. G. Stevens、David Chubb、Lisa M. Vickers、Simon P. Langdon、John A. Hickman、Andreas Gescher

  DOI：10.1021/jm00156a024

  日期：1986.6

  A series of derivatives of N-methylformamide (NMF), an experimental antitumor agent, has been prepared, having the general formula R3C(X)NR1R2 where R1 = H, CH3, CD3, CH2CF3, CH2CH2Cl, cyclopropyl, C2H5, CH2OH, CH2OR, CH2N(CH3)2; R2 = H, CH3; R3 = H, CF3, CCl3, CH3, Ph, NHCH3, N(CH3)2; and X = O, S, NH. A further short series of "push-pull" olefins of the general formula R1R2C = CHNR3R4 has been synthesized where R1 = H, CH3 and R2 = H, NO2, CN, CHO, CH3 and R3 = H and R4 = H, CH3, morpholino. These compounds have been tested for activity against the M5076 ovarian sarcoma and the TLX5 lymphoma in mice. NMF was by far the most potent agent of both series with activity against both tumors. Some other compounds showed weak activity, but there is a rigorous structural requirement for activity and most analogues were inactive. Certain members of the series exist as equilibrium mixtures of rotamers about the amide or pro-amide bonds as shown by NMR.
• Reactions of N-Formyloxymethyl-N-methylformamide. A Useful Electrophilic Reagent
  作者：Sidney D. Ross、Manuel Finkelstein、Raymond C. Petersen

  DOI：10.1021/jo01339a028

  日期：1966.1
• 369. Reactions of peroxides in NN-dimethylformamide solution. Part I. The induced decomposition of benzoyl peroxide
  作者：C. H. Bamford、E. F. T. White

  DOI：10.1039/jr9590001860

  日期：——