1-Heptanoyl-3-(2-mercapto-ethyl)-urea | 64847-74-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-Heptanoyl-3-(2-mercapto-ethyl)-urea
• 英文别名: N-[(2-Sulfanylethyl)carbamoyl]heptanamide；N-(2-sulfanylethylcarbamoyl)heptanamide
• CAS: 64847-74-1
• 化学式: C₁₀H₂₀N₂O₂S
• 分子量: 232.347
• InChiKey: XQSLRICOERMYOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  59.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Phenyl-3-(mercaptoacetyl)urea 、 1-Heptanoyl-3-(2-mercapto-ethyl)-urea 生成 2-[[2-oxo-2-(phenylcarbamoylamino)ethyl]disulfanyl]-N-(phenylcarbamoyl)acetamide
  参考文献：
  名称：

  ENDO TADASHI; TAJIMA KOKI; YAMASHITA MINORU; ITO MASATO M.; NISHIDA JUN-I+, J. CHEM. SOC. CHEM. COMMUN.,(1986) N 21, 1561-1562

  摘要：

  DOI：

文献信息

• Evidence for the Similarity Recognition Hypothesis. Structure Dependence of the Selectivity in Oxidation of a Pair of Associating Thiols Each Having an Alkyl Group
  作者：Tadashi Endo、Takeshi Ueda、Takashi Isago、Jun-ichi Kato、Takashi Suzuki、Makoto Misaka、Masato M. Ito

  DOI：10.1246/bcsj.60.2298

  日期：1987.6

  In base-catalyzed oxidation of a pair of associating thiols [HSCH2–CONHCONH–R1 and HSCH2CH2–NHCONHCO–R2] (R1=n-C4H9, R2=n-CnH2n+1) with oxygen, the selectivity (a measure of molecular recognition) at 35.0°C reached a maximum for R1=R2 (=n-C4H9) both in aqueous acetonitrile (n=2 to 6) and in aqueous ethanol (n=3 to 5).

  在一对结合硫醇（HSCH2–CONHCONH–R1和HSCH2CH2–NHCONHCO–R2）（R1=n-C4H9，R2=n-CnH2n+1）与氧气的碱催化氧化反应中，在35.0°C时，R1=R2（=n-C4H9）在水乙腈（n=2至6）和水乙醇（n=3至5）中的选择性（分子识别的度量）达到最大值。
• Control of the degree of molecular recognition by shape-specific weak interactions between nonpolar groups
  作者：Tadashi Endo、Koki Tajima、Minoru Yamashita、Masato M. Ito、Jun-ichiro Nishida、Toshikazu Ogikubo

  DOI：10.1039/c39860001561

  日期：——

  pair of associating thiols [(1) and (2)], each having a phenyl or a hexyl group (R = n-C6H13, i-C6H13, cyclo-C6H11), it has been shown that the order of the selectivity [a measure of the degree of the recognition between (1) and (2)] for R (i.e.,n-C6H13-C6H13 >cyclo-C6H11) depends upon the strength of the phenyl–R interactions.

  在氧化各自具有苯基或己基的一对缔合硫醇[（1）和（2）]时（R ＝ nC 6 H 13，iC 6 H 13，环C 6 H 11）。表明，选择性的顺序[（间的识别的程度的量度1）和（2）]为R（即，NC 6 H ^ 13 - c ^ 6 ħ 13 >环-C 6 H ^ 11）取决于苯基-R相互作用的强度。
• Endo, Tadashi; Takei, Hiromichi; Isago, Takashi, Journal of the Chemical Society. Perkin transactions II, 1990, # 6, p. 1029 - 1033
  作者：Endo, Tadashi、Takei, Hiromichi、Isago, Takashi、Guro, Kazuo、Nakajima, Yutaka、et al.

  DOI：——

  日期：——
• Isago, Takashi; Endo, Tadashi, Journal of the Chemical Society. Perkin transactions II, 1992, # 3, p. 383 - 386
  作者：Isago, Takashi、Endo, Tadashi

  DOI：——

  日期：——
• ENDO, TADASHI;UEDA, TAKESHI;ISAGO, TAKASHI;KATO, JUN-ICHI;SUZUKI, TAKASHI+, BULL. CHEM. SOC. JAP., 60,(1987) N 6, 2298-2300
  作者：ENDO, TADASHI、UEDA, TAKESHI、ISAGO, TAKASHI、KATO, JUN-ICHI、SUZUKI, TAKASHI+

  DOI：——

  日期：——