N-(2-异丙基-4-硝基苯基)乙酰胺 | 31539-91-0

• 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: N-(2-异丙基-4-硝基苯基)乙酰胺
• 英文名称: N-(2-isopropyl-4-nitrophenyl)acetamide
• 英文别名: 2-isopropyl-4-nitro-acetanilide；2-Isopropyl-4-nitroacetanilid；N-(4-nitro-2-propan-2-ylphenyl)acetamide
• CAS: 31539-91-0
• 化学式: C₁₁H₁₄N₂O₃
• 分子量: 222.244
• InChiKey: XMZOGCIGSQANPA-UHFFFAOYSA-N

物化性质

• 沸点：
  391.2±42.0 °C(Predicted)
• 密度：
  1.205±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 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：

  N-(2-异丙基-4-硝基苯基)乙酰胺 在 盐酸 、 硫酸 、 水 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 生成 2-异丙基-4-硝基苯酚
  参考文献：
  名称：

  WO2008/62182

  摘要：

  公开号：
• 作为产物：
  描述：

  2-异丙基乙酰苯胺 在 sodium nitrite 作用下， 以 三氟乙酸 为溶剂， 生成 N-(2-异丙基-4-硝基苯基)乙酰胺
  参考文献：
  名称：

  Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents

  摘要：

  这项发明涉及2-芳基亚胺杂环化合物，包括2-芳基亚胺-1,3-噻唑啉、2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪、2-芳基亚胺-1,3-噻唑啉-4-酮、2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这类治疗的药物组合物。

  公开号：

  US06353006B1

文献信息

• Hydroxylamine derivative of 5-nitro-8-hydroxy quinoline
  申请人：Roussel Uclaf

  公开号：US04801717A1

  公开（公告）日：1989-01-31

  Novel hydroxylamino derivatives of the formula Ar--ONH.sub.2 I wherein Ar is selected from the group consisting of mono- and polycyclic aromatics and hetero-aromatics, both optionally substituted with at least one member of the group consisting of --OH, halogen, --NO.sub.2, --CN, ##STR1## --R.sub.7, --OR.sub.8, ##STR2## --SO.sub.2 R.sub.12, --SO.sub.3 R.sub.13, --COOR.sub.14, aryl of 6 to 14 carbon atoms, --OR.sub.16, --CH.sub.2 --CN and --CH.sub.2 SO.sub.2 --R.sub.15, R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5 and R.sub.6 are individually selected from the group consisting of hydrogen and alkyl of 1 to 8 carbon atoms, R.sub.7 and R.sub.8 are optionally unsaturated alkyl of 1 to 8 carbon atoms optionally substituted with at least one member of the group consisting of halogen and cyano, R.sub.9, R.sub.10, R.sub.11, R.sub.12 and R.sub.13 are alkyl of 1 to 8 carbon atoms, Z is selected from the group consisting of hydrogen, optionally unsaturated alkyl of 1 to 8 carbon atoms and acyl of an organic carboxylic acid of 2 to 18 carbon atoms, R.sub.14 is selected from the group consisting of hydrogen and alkyl of 1 to 8 carbon atoms, R.sub.15 is selected from the group consisting of alkyl of 1 to 8 carbon atoms and aryl of 6 to 14 carbon atoms optionally substituted with an alkyl of 1 to 8 carbon atoms, R.sub.16 is aryl of 6 to 14 carbon atoms optionally substituted with a member of the group consisting of alkyl of 1 to 8 carbon atoms, halogen and --NO.sub.2, the substituents of Ar being able to form rings containing at least one heteroatom selected from the group consisting of oxygen, nitrogen and sulfur and their non-toxic agriculturally acceptable acid addition salts with the proviso Ar is not phenyl nor phenyl with one methyl in the 2,3 or 4 position, a nitro in the 2- or 4-position, a chlorine in the 3- or 4-position, a bromine in the 4-position or a --CF.sub.3 in the 4-position nor 2,4-dinitrophenyl nor 2-nitro-4-trifluoromethylphenyl nor 2,6-dinitrophenyl nor 2,4,6-trinitrophenyl nor 2,4-dinitro-6-trifluoromethylphenyl useful for increasing vegetation growth and increasing crop yields and their preparation.

  该专利涉及一种新型羟胺衍生物，其化学式为Ar--ONH.sub.2，其中Ar选自包括单环和多环芳烃和杂环芳烃的群体，这些芳烃和杂环芳烃可以选择性地取代至少一个--OH、卤素、--NO.sub.2、--CN、##STR1## --R.sub.7、--OR.sub.8、##STR2## --SO.sub.2 R.sub.12、--SO.sub.3 R.sub.13、--COOR.sub.14、6到14个碳原子的芳基、--OR.sub.16、--CH.sub.2 --CN和--CH.sub.2 SO.sub.2 --R.sub.15的群体中的至少一个成员，R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5和R.sub.6分别选自氢和1到8个碳原子的烷基的群体，R.sub.7和R.sub.8可以选择性地为1到8个碳原子的不饱和烷基，该烷基可以选择性地取代至少一个卤素和氰基，R.sub.9、R.sub.10、R.sub.11、R.sub.12和R.sub.13为1到8个碳原子的烷基，Z选自包括氢、可选择性不饱和的1到8个碳原子的烷基和2到18个碳原子的有机羧酸酰基的群体，R.sub.14选自包括氢和1到8个碳原子的烷基的群体，R.sub.15选自包括1到8个碳原子的烷基和6到14个碳原子的芳基的群体，该芳基可以选择性地取代1到8个碳原子的烷基，R.sub.16为6到14个碳原子的芳基，可以选择性地取代包括1到8个碳原子的烷基、卤素和--NO.sub.2的群体的成员，Ar的取代基能够形成含有至少一个氧、氮和硫的杂原子的环，并且其非毒性农业可接受的酸盐，但Ar不能为苯基，也不能为苯基在2、3或4位上带有一个甲基、2-或4-位上带有一个硝基、3-或4-位上带有一个氯、4-位上带有一个溴或4-位上带有一个--CF.sub.3，也不能为2,4-二硝基苯基、2-硝基-4-三氟甲基苯基、2,6-二硝基苯基、2,4,6-三硝基苯基或2,4-二硝基-6-三氟甲基苯基。这种羟胺衍生物可用于促进植物生长和增加作物产量，以及其制备方法。
• Effects of<i>para</i>-Substituents on the Rates of Inversion of Biphenyl Derivatives. II. 2-Isopropyl-2′-methoxybiphenyls
  作者：Michinori Oki、Gaku Yamamoto

  DOI：10.1246/bcsj.44.266

  日期：1971.1

  Nine 4,4′-substituted 2-isopropyl-2′-methoxybiphenyls were synthesized and temperature dependence of the NMR spectra of these compounds was examined. The effects of the substituents on the energy barrier to inversion of the biphenyl skeleton can be interpreted in terms of both resonance stabilization and out-of-plane bending of the axis bond at the transition state. In the latter, an electron-donating

  合成了九个 4,4'-取代的 2-异丙基-2'-甲氧基联苯，并检查了这些化合物的 NMR 光谱的温度依赖性。取代基对联苯骨架反转能垒的影响可以从共振稳定性和过渡态轴键的面外弯曲两个方面来解释。在后者中，给电子取代基使键弯曲更容易并降低了势垒，而吸电子基团则提高了势垒。
• Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents
  申请人：——

  公开号：US20030207865A1

  公开（公告）日：2003-11-06

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  本发明涉及2-芳基亚胺杂环，包括2-芳基亚胺-1,3-噻唑啉，2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪，2-芳基亚胺-1,3-噻唑啉-4-酮，2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这种治疗的制药组合物。
• 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS
  申请人：Downham Robert

  公开号：US20100056511A1

  公开（公告）日：2010-03-04

  The invention provides compounds of formula (I), and pharmaceutically acceptable salts thereof wherein: R1, R2, R3, R4, R5, R6, R7, X and X 1 are as defined herein. These compounds are useful in the manufacture of medicaments for use in the prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  该发明提供了公式（I）的化合物及其药学上可接受的盐，其中：R1，R2，R3，R4，R5，R6，R7，X和X1如本文所定义。这些化合物在制造用于预防或治疗真菌病的药物方面是有用的。公式（I）的化合物及其农业上可接受的盐也可用作农业杀真菌剂。
• ANTIFUNGAL COMBINATION THERAPY
  申请人：Birch Michael

  公开号：US20110183969A1

  公开（公告）日：2011-07-28

  The invention provides pharmaceutical combinations comprising a combination of an antifungal indolizine compound of formula (I) or a pharmaceutically acceptable salt thereof and a second antifungal agent: wherein: R1, R2, R3, R4, R5, R6, R7, X and X 1 are as defined herein. The invention also provides pharmaceutical compositions comprising an antifungal indolizine compound of formula (I) or a pharmaceutically acceptable salt thereof, a second antifungal agent and a pharmaceutically acceptable diluent or carrier. The combinations and compositions are useful in the prevention or treatment of a fungal disease. A combination of an indolizine compound of formula (I) or agriculturally acceptable salts thereof and a second antifungal agent may also be used as an agricultural fungicide.

  本发明提供了药物组合物，包括式(I)的抗真菌吲哚啉化合物或其药学上可接受的盐和第二种抗真菌剂的组合：其中：R1，R2，R3，R4，R5，R6，R7，X和X1如本文所定义。本发明还提供了药物组合物，包括式(I)的抗真菌吲哚啉化合物或其药学上可接受的盐、第二种抗真菌剂和药学上可接受的稀释剂或载体。该组合物和组合物在预防或治疗真菌病方面是有用的。式(I)的吲哚啉化合物或其农业上可接受的盐和第二种抗真菌剂的组合也可用作农业杀菌剂。