methyl 2-isopropyl-3-methylbutanoate | 94991-59-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 2-isopropyl-3-methylbutanoate
• 英文别名: 2-isopropyl-3-methyl-butyric acid methyl ester；2-Isopropyl-3-methyl-buttersaeure-methylester；Butanoic acid, 3-methyl-2-(1-methylethyl)-, methyl ester；methyl 3-methyl-2-propan-2-ylbutanoate
• CAS: 94991-59-0
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: SSZLGXGUJHOYNA-UHFFFAOYSA-N

物化性质

• 沸点：
  154.3±8.0 °C(Predicted)
• 密度：
  0.870±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 2-isopropyl-3-methylbutanoate 在 氢碘酸 作用下， 生成 3-甲基-2-丙-2-基丁酸
  参考文献：
  名称：

  α-Halo Ketones. V. The Preparation, Metathesis and Rearrangement of Certain α-Bromoketones

  摘要：

  DOI：

  10.1021/ja01152a103
• 作为产物：
  描述：

  2-cyano-2-isopropyl-3-methyl-butyric acid 在 盐酸 、 氯化亚砜 作用下， 生成 methyl 2-isopropyl-3-methylbutanoate
  参考文献：
  名称：

  Exercise-induced microalbuminuria in patients with active acromegaly: Acute effects of slow-release lanreotide, a long-acting somatostatin analog

  摘要：

  Recent clinical studies have demonstrated an increase of urinary albumin excretion (UAE) at rest in acromegalic patients and, on the other hand, a reduced UAE in patients with growth hormone (GH) deficiency. Physical exercise is known to induce abnormal UAE in patients with diabetes, probably unmasking early glomerular alterations. The effect of exercise on UAE in acromegaly is not known. Moreover, the effect of acute but sustained GH inhibition in acromegaly on UAE at rest and after exercise has never been studied. The aim of our study was to evaluate the acute short-term effects of slow-release lanreotide (SR-L), a long-acting somatostatin analog, on UAE and alpha 1-microglobulinuria (A-1-M), a marker of renal tubular damage, at rest and after exercise in 7 normotensive patients with active acromegaly and normal renal function (4 males and 3 females; mean age, 53 +/- 3.1 years; body mass index [BMI], 27.3 +/- 1.1 kg/m(2)) at baseline and 7 and 14 days after SR-L injection (30 mg). Two of the acromegalic patients were microalbuminuric at rest, and in other 3 cases, UAE was in the borderline range (10 to 20 mu g/min). At baseline in the acromegalic subjects, we found a significant increase in UAE at rest with respect to 7 normal subjects considered as a control group. GH and insulin-like growth factor-1 (IGF-1) were also reduced compared with baseline 7 and 14 days after SR-L injection (GH, 13.4 +/- 7.3 and 13.61 +/- 7 v 18.5 +/- 9.3 mu g/L, P < .05; IGF-1, 230 +/- 53 and 255 +/- 54 v 275 +/- 64 mu g/L). Concomitantly, we observed a significant decrease of UAE at rest and after exercise and 7 and 14 days after SR-L injection as compared with baseline values (27.3 +/- 20.5 and 18.2 +/- 13.7 v 35.3 +/- 12.8 mu g/min, P < .05; exercise, 48.5 +/- 24.1 and 18.6 +/- 6.8 v 68.3 +/- 39.7 mu g/min, P < .05). A-1-M always remained in the normal range (<12 mg/L) both at rest and after exercise. We can thus conclude that in acromegaly, submaximal exercise induces abnormal increases in microalbuminuria. We hypothesize that this phenomenon may be due to the functional glomeruler involvement. SR-L can significantly reduce UAE at rest and after exercise in the short-term in acromegaly, probably via a decrease in circulating GH levels. Copyright (C) 2000 by W.B. Saunders Company.

  DOI：

  10.1016/s0026-0495(00)80040-2

文献信息

• HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150245616A1

  公开（公告）日：2015-09-03

  Herbicidally and fungicidally active 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides of the formula (I) are described. In this formula (I), X, X 2 to X 6 , R 1 to R 4 are radicals such as hydrogen, halogen and organic radicals such as substituted alkyl. A is a bond or a divalent unit. Y is a chalcogen.

  具有除草和杀菌活性的5-氧代取代的3-苯基异噁唑啉-5-羧酰胺和5-氧代取代的3-苯基异噁唑啉-5-硫酰胺的化合物如下式（I）所述。 在这个式子（I）中，X，X2至X6，R1至R4是氢、卤素和有机基团，如取代烷基等。A是一个键或二价基团。Y是硫族元素。
• NO-RELEASING NITROOXY-CHROMENE CONJUGATES
  申请人：EUCLISES PHARMACEUTICALS, INC.

  公开号：US20160340330A1

  公开（公告）日：2016-11-24

  The present invention provides NO-releasing nitrooxy-alkylenyl-linked-chromene conjugates, having the structure of Formula (1) wherein R1, R2, R3, R4, X, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound o Formula (I); and methods useful for healing wounds, preventing and treating cancer and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (1).

  本发明提供了NO释放的硝基氧烷基连接的色酮共轭物，其具有如下式（1）的结构，其中R1、R2、R3、R4、X和L如详细描述中所定义；包含至少一种Formula（I）化合物的药物组合物；以及使用Formula（1）化合物有益于愈合伤口、预防和治疗癌症以及治疗光老化性角化症、囊性纤维化和痤疮的方法。
• NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES
  申请人：Euclises Pharmaceuticals, Inc.

  公开号：US20150197494A1

  公开（公告）日：2015-07-16

  The present invention provides NO-releasing nitrooxy-alkylene-linked-celecoxib conjugates, having the structure of Formula (I): wherein R 1 , R 2 , Q, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound of Formula (I); and methods useful for healing wounds, preventing and treating cancer, and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (I).

  本发明提供了NO释放的硝基氧烷基连接的Celecoxib共轭物，其具有如下式（I）的结构： 其中R1、R2、Q和L如详细描述中所定义；包含至少一种式（I）化合物的药物组合物；以及使用式（I）化合物有益于愈合伤口、预防和治疗癌症、治疗日光性角化症、囊性纤维化和痤疮的方法。
• Iodoarene-Catalyzed Oxyamination of Unactivated Alkenes to Synthesize 5-Imino-2-Tetrahydrofuranyl Methanamine Derivatives
  作者：Xiao-Jun Deng、Hui-Xia Liu、Lu-Wen Zhang、Guan-Yu Zhang、Zhi-Xiang Yu、Wei He

  DOI：10.1021/acs.joc.0c02047

  日期：2021.1.1

  alkene by an in situ generated cationic iodonium(III) intermediate, which is subsequently attacked by an oxygen atom (instead of nitrogen) of amides to form a five-membered ring intermediate. Finally, this intermediate undergoes an SN2 reaction by NTs2 as the nucleophile to give the oxygen and nitrogen difunctionalized 5-imino-2-tetrahydrofuranyl methanamine product. An asymmetric variant of the present

  此处报道的是室温下无金属的碘代芳烃催化的未活化烯烃的氧化。在此过程中，烯烃通过酰胺基团的氧原子和外源HNT 2分子中的氮进行双官能化。这种温和的露天反应提供了对N-双甲苯磺酰基取代的5-亚氨基-2-四氢呋喃基甲胺衍生物的有效合成，这是药物开发和生物学研究的重要主题。基于实验和密度泛函理论计算的机理研究表明，这种转变是通过原位活化底物烯烃而进行的生成的阳离子碘鎓（III）中间体，随后被酰胺的氧原子（而不是氮）攻击形成五元环中间体。最后，该中间体通过作为亲核试剂的NTs 2经历S N 2反应，得到氧和氮双官能化的5-亚氨基-2-四氢呋喃基甲胺产品。使用手性碘代芳烃作为催化剂的本发明烯烃氧化胺的不对称变体对于某些底物也给出了有希望的结果。
• TETRAHYDROPYRANONAPHTHYRIDINES DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC TREATMENT THEREOF
  申请人：Snyder John K.

  公开号：US20110003776A1

  公开（公告）日：2011-01-06

  This invention relates to tetrahydropyranonaphthyridines derivatives having formula (III) or IV: and analogues of the tetrahydropyranonaphthyridines derivatives. The invention also relates to pharmaceutical compositions comprising these compounds and methods for treatment of tuberculosis using these compounds.

  本发明涉及具有以下化学式（III）或（IV）的四氢吡喃萘啉衍生物，以及四氢吡喃萘啉衍生物的类似物。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物治疗结核病的方法。