Isopentylurethan | 1611-52-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Isopentylurethan
• 英文别名: N-<γ,γ-Dimethyl-propyl>-carbamidsaeure-ethylester；isopentyl-carbamic acid ethyl ester；Isopentyl-carbamidsaeure-aethylester；N-Isoamyl-urethan；(3-methylbutyl)-carbamic acid, ethyl ester；Kohlensaeure-aethylester-isoamylamid；N-Isoamyl-carbamidsaeure-aethylester；Isoamylurethan；ethyl N-(3-methylbutyl)carbamate
• CAS: 1611-52-5
• 化学式: C₈H₁₇NO₂
• 分子量: 159.228
• InChiKey: PXONPKCOJADKTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  238.03°C (estimate)
• 密度：
  0.9322

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Isopentylurethan 在 phosphorus pentoxide 作用下， 生成 triisopentyl-urea
  参考文献：
  名称：

  Custer, Chemische Berichte, 1879, vol. 12, p. 1333

  摘要：

  DOI：
• 作为产物：
  描述：

  天然橡胶 在 镍 三氟化硼乙醚 、 氢气 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 Isopentylurethan
  参考文献：
  名称：

  Mueller,G.; Merten,R., Chemische Berichte, 1965, vol. 98, p. 1097 - 1110

  摘要：

  DOI：

文献信息

• RENIN INHIBITORS
  申请人：Kwok Lily

  公开号：US20100105665A1

  公开（公告）日：2010-04-29

  Compounds, pharmaceutical compositions, kits, article of manufacture, methods of using, and method of preparing of compounds having the formula of: wherein the variables are as defined herein.

  化合物、药物组合物、试剂盒、制造物品、使用方法和制备方法，具有以下式子的化合物：其中变量的定义如下。
• TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Babu Srinivasan

  公开号：US20110201593A1

  公开（公告）日：2011-08-18

  The invention provides novel compounds of formula I having the general formula: wherein R 1 , R 2 , R 3 , X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  本发明提供了具有以下一般式的新化合物I： 其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以在药学上可接受的组合物中提供，并用于治疗免疫或过度增生性疾病。
• Wright, Andrew D.; Bowen, Richard D.; Jennings, Keith R., Journal of the Chemical Society. Perkin transactions II, 1989, p. 1521 - 1528
  作者：Wright, Andrew D.、Bowen, Richard D.、Jennings, Keith R.

  DOI：——

  日期：——
• Low-energy, low-temperature mass spectra. 10—urethanes
  作者：Richard D. Bowen、Allan Maccoll

  DOI：10.1002/oms.1210240210

  日期：1989.2

  AbstractThe 12.1 eV, 75°C electron impact mass spectra of 24 urethanes, RNHCO2C2H5 [R  H, C2H2n +1 (n = 1‐8), CH2CHCH2, Ph, PhCH2 and PhCH2CH2], and seven symmetrically disubstituted urethanes R2NCO2C2H5 (R  Cn H2n + 1 (n = 1−4)) are reported and discussed. All 31 spectra show appreciable molecular ion peaks. For n −Cn H2n +1 NHCO2C2H5, M+ ˙ usually is the most abundant ion in the spectrum. A peak at m/z 102 of comparable intensity also is present; this corresponds to formal cleavage of the bond connecting the α‐ and β‐carbon atoms in the N‐alkyl group, though it is unlikely that the daughter ion has the structure [CH2NHCO2C2H5]+. In the RNHCO2C2H5 series, branching at the α‐carbon atom enhances the relative abundance of the ion arising by notional α‐cleavage at the expense of that of M+ ˙. Formal cleavage of the bond between β‐ and γ‐carbon atoms occurs to some extent for [RNHCO2C2H5]+˙ ions; this reaction provides information on the degree of branching at the β‐carbon, especially if metastable molecular ions are considered. The higher n‐CnH2n +1NHCO2C2H5 (n = 5−8) urethanes exhibit two other significant ions in their mass spectra. First, there is a peak at [M  C2H5]+. Secondly, a peak is present at m/z 90; the most plausible structure for this ion is [H2N(HO)COC2H5]+, arising by double hydrogen transfer from the alkyl group and expulsion of a [CnH2n −1]˙ radical. Ions originating from secondary decomposition of the primary ionic species are generally of only very low abundance in these spectra.
• Carbethoxynitrene by α-Elimination. Reactions with Hydrocarbons^1,2
  作者：Walter Lwowski、Tom J. Maricich

  DOI：10.1021/ja01094a018

  日期：1965.8