isopropyl-phenyl-carbamonitrile | 20914-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: isopropyl-phenyl-carbamonitrile
• 英文别名: Isopropyl-phenyl-carbamonitril；N-Isopropyl-N-cyan-anilin；Isopropylphenylcyanamid；Phenyl(propan-2-yl)cyanamide
• CAS: 20914-20-9
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: GGIAWFHNRBSBKV-UHFFFAOYSA-N

物化性质

• 沸点：
  278.8±9.0 °C(Predicted)
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  isopropyl-phenyl-carbamonitrile 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-异丙基苯胺
  参考文献：
  名称：

  RENAL FUNCTIONAL OUTCOME IN UNILATERAL HYDRONEPHROSIS IN NEWBORN PIGS

  摘要：

  Purpose: We followed the course of neonatally induced, partial unilateral ureteral obstruction in pigs and established whether early function or morphological evaluation of the hydronephrotic kidney is predictive of outcome.Materials and Methods: In 25 piglets unilateral partial ureteropelvic obstruction was induced 2 days after birth, while 11 underwent sham operation. Only obstructed kidneys with significant dilatation at 4 weeks were included for further study. Renal function was assessed on renography using (99m)technetium-diaminetriaminepentaacetic acid differential uptake. According to the plasma clearance of (99m)technetium-diaminetriaminepentaacetic acid the glomerular filtration rate was determined at ages 4, 12 and 24 weeks. Kidney morphology was studied in parallel by magnetic resonance imaging.Results: A total of 12 obstructed kidneys with grade 3 or 4 hydronephrosis fulfilled study inclusion criteria. Of 6 kidneys with a functional share of 40% or greater at age 4 weeks 2 deteriorated to less than 40% at 24 weeks, while 4 of 6 with st share of less than 40% at age 4 weeks improved to greater than 40% at 24 weeks. The single kidney glomerular filtration rate at 4 weeks did not correlate with that at 12 or 24 weeks but the rate at 12 weeks correlated with that at 24 weeks (r(2) = 0.8140, p <0.001). Neither relative volume of the obstructed kidney nor length of the contralateral nonobstructed kidney correlated with functional share of the obstructed kidney at any age.Conclusions: Early evaluation of kidney function or volume, or contralateral kidney length did not predict the outcome of neonatally induced unilateral hydronephrosis in pigs.

  DOI：

  10.1016/s0022-5347(05)67591-x
• 作为产物：
  描述：

  N-异丙基苯胺 生成 isopropyl-phenyl-carbamonitrile
  参考文献：
  名称：

  RENAL FUNCTIONAL OUTCOME IN UNILATERAL HYDRONEPHROSIS IN NEWBORN PIGS

  摘要：

  Purpose: We followed the course of neonatally induced, partial unilateral ureteral obstruction in pigs and established whether early function or morphological evaluation of the hydronephrotic kidney is predictive of outcome.Materials and Methods: In 25 piglets unilateral partial ureteropelvic obstruction was induced 2 days after birth, while 11 underwent sham operation. Only obstructed kidneys with significant dilatation at 4 weeks were included for further study. Renal function was assessed on renography using (99m)technetium-diaminetriaminepentaacetic acid differential uptake. According to the plasma clearance of (99m)technetium-diaminetriaminepentaacetic acid the glomerular filtration rate was determined at ages 4, 12 and 24 weeks. Kidney morphology was studied in parallel by magnetic resonance imaging.Results: A total of 12 obstructed kidneys with grade 3 or 4 hydronephrosis fulfilled study inclusion criteria. Of 6 kidneys with a functional share of 40% or greater at age 4 weeks 2 deteriorated to less than 40% at 24 weeks, while 4 of 6 with st share of less than 40% at age 4 weeks improved to greater than 40% at 24 weeks. The single kidney glomerular filtration rate at 4 weeks did not correlate with that at 12 or 24 weeks but the rate at 12 weeks correlated with that at 24 weeks (r(2) = 0.8140, p <0.001). Neither relative volume of the obstructed kidney nor length of the contralateral nonobstructed kidney correlated with functional share of the obstructed kidney at any age.Conclusions: Early evaluation of kidney function or volume, or contralateral kidney length did not predict the outcome of neonatally induced unilateral hydronephrosis in pigs.

  DOI：

  10.1016/s0022-5347(05)67591-x

文献信息

• Transition-metal free N-arylation of cyanamides by diaryliodonium triflates in aqueous media
  作者：Jihui Li、Xinyi Zheng、Wei Li、Wei Zhou、Wen Zhu、Yucang Zhang

  DOI：10.1039/c5nj02153g

  日期：——

  protocol is established for the synthesis of disubstituted cyanamides through the transition-metal free N-arylation of cyanamides by diaryliodonium triflates in aqueous media. Both alkyl and aryl cyanamides are well compatible with the mild reaction conditions. The one-pot synthesis of ureas is also possible through sequential arylation and hydrolysis of cyanamides, diaryliodonium triflates and H2O

  建立了一种操作简单的方案，用于通过在水介质中使用二芳基碘鎓三氟甲磺酸盐通过氰化物的无过渡金属的N-芳基化来合成二取代的氰胺。烷基和芳基氰酰胺都与温和的反应条件完全相容。一锅法合成尿素也可以通过连续的芳基化和氰化物，二芳基二铵三氟甲磺酸盐和H 2 O的水解来进行，并具有良好的收率。
• HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE
  申请人：Itai Akiko

  公开号：US20100234363A1

  公开（公告）日：2010-09-16

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein X is O or S, a broken line and a wavy line represent the presence or the absence of a bond, (i) when a broken line represents the presence of a bond, a wavy line represents the absence of a bond, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, (ii) when a broken line represents the absence of a bond, a wavy line represents the presence of a bond, R 1 and R 4 are each independently hydrogen, halogen or the like, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, and R 5 and R 6 are each independently hydrogen, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like.

  本发明涉及一种化合物，可用作11β-羟基类固醇脱氢酶1型抑制剂。化合物的表示式如下：其药学上可接受的盐或其溶剂化物，其中X为O或S，一条断线和一条波浪线分别表示键的存在或不存在，(i) 当断线表示键的存在时，波浪线表示键的不存在，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，(ii) 当断线表示键的不存在时，波浪线表示键的存在，R1和R4各自独立地表示氢、卤素或类似物，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，而R5和R6各自独立地表示氢、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物。
• Copper-Catalyzed, Ligand-Controlled N(sp³)- or N(sp)-Selective Arylation of Cyanamides
  作者：Jiaqi Fang、Oumaïma Bekkouch、Guilhem Zeiser、Yurii Zubchuk、Vincent Bizet、Nicolas Blanchard、Gwilherm Evano

  DOI：10.1021/acs.orglett.3c02622

  日期：2023.9.1

  both nucleophilic and electrophilic centers, and their arylation reactions are known to proceed at N(sp3) and C(sp) sites, leading to N-aryl cyanamides or amidines. N(sp) selectivity has also been reported only in the presence of amines, thus leading to guanidines. Herein, we report a general copper-catalyzed ligand-controlled Chan-Lam-Evans arylation of cyanamides proceeding regioselectively at the N(sp3)

  氰胺同时具有亲核和亲电子中心，并且已知它们的芳基化反应在N(sp 3 )和C(sp)位点进行，产生N-芳基氰胺或脒。据报道，N(sp) 选择性仅在胺存在下产生，从而产生胍。在此，我们报道了一般的铜催化配体控制的氰胺的Chan-Lam-Evans芳基化反应，该反应在N(sp 3 )或N(sp)原子上进行区域选择性，并产生N-芳基氰胺或不对称碳二亚胺。配体（联吡啶或二胺）的性质控制产物分布，从而提供从容易获得的氰胺到有用结构单元的不同入口。
• v.Braun, Chemische Berichte, 1900, vol. 33, p. 2734
  作者：v.Braun

  DOI：——

  日期：——
• SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS
  申请人：CAMBRIDGE NEUROSCIENCE RESEARCH, INC.

  公开号：EP0584088A1

  公开（公告）日：1994-03-02