monofluoroacetic acid bromide | 430-43-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: monofluoroacetic acid bromide
• 英文别名: fluoroacetyl bromide；Fluor-acetylbromid；fluoro acetylbromide；Fluoracetylbromid；2-fluoroacetyl bromide
• CAS: 430-43-3
• 化学式: C₂H₂BrFO
• 分子量: 140.94
• InChiKey: LOWWIZGENXQQQN-UHFFFAOYSA-N

物化性质

• 沸点：
  87-88 °C
• 密度：
  1.823±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  monofluoroacetic acid bromide 、 1,8-二氨基萘 以 苯 为溶剂， 反应 1.0h， 以74%的产率得到2-fluoromethylperimidine
  参考文献：
  名称：

  pleiadiene的杂环类似物。54.关于2-氟甲基-和2-二氟甲基-perimidines的亲电子试剂的合成，碱性和行为。Perimidine-6（7）-羧酸的合成

  摘要：

  DOI：

  10.1007/bf00503668
• 作为产物：
  描述：

  氟乙酸 在 三溴化磷 作用下， 生成 monofluoroacetic acid bromide
  参考文献：
  名称：

  Toxic Fluorine Compounds. X.¹ ι-Fluorocarboxylic Acid Chlorides, Anhydrides, Amides, and Anilides

  摘要：

  DOI：

  10.1021/jo01114a017

文献信息

• The conformational equilibria and vibrational spectra, including infrared matrix-isolation spectra, of fluoroacetyl chloride and fluoroacetyl bromide
  作者：Ashraf A. El-Bindary、Anne Horn、Peter Klaeboe、Claus J. Nielsen、Fatma I.M. Taha

  DOI：10.1016/0022-2860(92)87073-5

  日期：1992.10

  Abstract Infrared spectra of the title compounds as liquids and as unannealed and annealed solids at 85 K were recorded in the 4000-50 cm −1 range. Matrix-isolation spectra in argon and in nitrogen matrices were obtained at 14 K in a 1:500 ratio, with gas mixtures heated to various temperatures between 313 and 700 K. Unlike the situation for other haloacetyl halides, the matrix spectra did not change

  摘要 在 4000-50 cm -1 范围内记录了在 85 K 下作为液体以及作为未退火和退火固体的标题化合物的红外光谱。氩气和氮气基质中的基质分离光谱是在 14 K 下以 1:500 的比例获得的，气体混合物加热到 313 到 700 K 之间的不同温度。 与其他卤代乙酰卤化物的情况不同，基质光谱没有显着变化退火至 30-36 K 后，显示出超过 10 kJ mol -1 的势垒（gauche-anti）。化合物的拉曼光谱在不同温度下被记录为液体以及无定形和结晶固体。从可变温度测量中，发现构象异构体之间的焓差为：6.2 ± 0.4（液体，拉曼），4.8 ± 0.5（“蒸气”，Ar 基质，IR）和 5.2 ± 0.5 kJ mol -1（“蒸气” ”, N 2 矩阵, IR) 氟乙酰氯；氟乙酰溴为 4.2 ± 0.4（液体，拉曼），5.2 ± 0.5（“蒸气”，Ar 基质，IR）和 5.7
• 1-Halomethyl-6-phenyl-4H-s-[4,3-a][1,4]benzodiazepines
  申请人：The Upjohn Company

  公开号：US04141902A1

  公开（公告）日：1979-02-27

  1-Substituted-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines of the formula II: ##STR1## wherein R.sub.0 is selected from the group consisting of hydrogen, methyl, ethyl, fluorine, chlorine, and bromine, and X is selected from fluorine, chlorine, and bromine; wherein R.sub.1 is selected from the group consisting of hydrogen, alkyl of 1 to 3 carbon atoms inclusive; wherein R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are selected from the group consisting of hydrogen, alkyl, as defined above, halogen, nitro, cyano, trifluoromethyl, and alkoxy, alkylthio, alkylsulfinyl, and alkylsulfonyl, in which the carbon chain moieties are of 1 to 3 carbon atoms, inclusive, are prepared by reacting a compound of the formula: ##STR2## wherein R.sub.1, R.sub.2, R.sub.3 R.sub.4, and R.sub.5 are defined as above, with an haloacyl chloride or haloacyl bromide of the formula ##STR3## wherein R.sub.o and X are defined as above and X' is chlorine or bromine. The new products of formula II including their pharmacologically acceptable acid addition salts are useful as sedatives, tranquilizers and muscle relaxants in mammals and birds, and if X.dbd.X".dbd.Cl or Br they are useful as intermediates for cyano, alkylthio and dialkylamino products of high sedative and tranquilizing activity.

  式II的1-取代-6-苯基-4H-s-三唑并[4,3-a][1,4]苯二氮杂环戊烷化合物：其中R.sub.0从氢、甲基、乙基、氟、氯和溴组成的群体中选择，X从氟、氯和溴中选择；其中R.sub.1从氢、1至3个碳原子的包括的烷基中选择；其中R.sub.2、R.sub.3、R.sub.4和R.sub.5从氢、如上定义的烷基、卤素、硝基、氰基、三氟甲基和烷氧基、烷硫基、烷硫醇基和烷磺酰基组成的群体中选择，其中碳链基团为1至3个碳原子，包括，通过将式化合物反应得到：其中R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.5如上定义，与式卤代酰氯或卤代酰溴反应得到：其中R.sub.o和X如上定义，X'为氯或溴。包括其药理学上可接受的酸盐的式II的新产物可用作哺乳动物和鸟类的镇静剂、安定剂和肌肉松弛剂，如果X.dbd.X".dbd.Cl或Br，则它们可用作具有高镇静和安定活性的氰基、烷硫基和二烷基胺产物的中间体。
• Gryszkiewicz-Trochimowski; Sporzynski; Wnuk, Recueil des Travaux Chimiques des Pays-Bas, 1947, vol. 66, p. 424
  作者：Gryszkiewicz-Trochimowski、Sporzynski、Wnuk

  DOI：——

  日期：——
• Kitano et al., Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1955, vol. 58, p. 224
  作者：Kitano et al.

  DOI：——

  日期：——
• Source regions and timescales for the delivery of water to the Earth
  作者：A. Morbidelli、J. Chambers、J. I. Lunine、J. M. Petit、F. Robert、G. B. Valsecchi、K. E. Cyr

  DOI：10.1111/j.1945-5100.2000.tb01518.x

  日期：2000.11

  Abstract—In the primordial solar system, the most plausible sources of the water accreted by the Earth were in the outer asteroid belt, in the giant planet regions, and in the Kuiper Belt. We investigate the implications on the origin of Earth's water of dynamical models of primordial evolution of solar system bodies and check them with respect to chemical constraints. We find that it is plausible that the Earth accreted water all along its formation, from the early phases when the solar nebula was still present to the late stages of gas‐free sweepup of scattered planetesimals. Asteroids and the comets from the Jupiter‐Saturn region were the first water deliverers, when the Earth was less than half its present mass. The bulk of the water presently on Earth was carried by a few planetary embryos, originally formed in the outer asteroid belt and accreted by the Earth at the final stage of its formation. Finally, a late veneer, accounting for at most 10% of the present water mass, occurred due to comets from the Uranus‐Neptune region and from the Kuiper Belt. The net result of accretion from these several reservoirs is that the water on Earth had essentially the D/H ratio typical of the water condensed in the outer asteroid belt. This is in agreement with the observation that the D/H ratio in the oceans is very close to the mean value of the D/H ratio of the water inclusions in carbonaceous chondrites.