甲基(2-环丙基乙基)酮 | 2046-23-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 甲基(2-环丙基乙基)酮
• 英文名称: methyl (2-cyclopropylethyl) ketone
• 英文别名: 4-cyclopropylbutan-2-one；4-Cyclopropyl-2-butanone；<2-Cyclopropyl-ethyl>-methyl-keton；4-Cyclopropyl-butan-2-on；1-Cyclopropyl-butanon-(3)；1-Cyclopropyl-3-butanon；3-Cyclopropyl-2-butanon
• CAS: 2046-23-3
• 化学式: C₇H₁₂O
• mdl: MFCD20336759
• 分子量: 112.172
• InChiKey: LPRBSWPDOZIDQE-UHFFFAOYSA-N

物化性质

• 沸点：
  155 °C(Press: 732 Torr)
• 密度：
  0.927±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  甲基(2-环丙基乙基)酮 在 咪唑 、 magnesium 、 mercury dichloride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 (+/-)-Methyl 7-<2β-(6-cyclopropyl-4-hydroxy-4-methyl-1(E)-hexenyl)-3α-hydroxy-5-oxo-1α-cyclopentyl>-4(Z)-heptenoate
  参考文献：
  名称：

  18-Cycloalkyl analogs of enisoprost

  摘要：

  By use of standard cuprate methodology, a series of 18-cycloalkyl analogues of enisoprost was prepared in an effort to impede omega chain metabolism and prolong duration of gastric antisecretory activity. An initial product of omega chain oxidation, the C-20 hydroxy analogue, was also synthesized for pharmacological comparison. The cyclopropyl, cyclobutyl, and cyclopentyl analogues were approximately one-fourth as potent as enisoprost in inhibiting gastric acid secretion, while the cyclohexyl and cycloheptyl analogues showed very weak activity, and the 20-hydroxy compound was inactive at a dose 100 times the ED50 of enisoprost. The cyclobutyl compound had a longer duration of antisecretory action than enisoprost and the other cycloalkyl analogues. The cycloalkyl analogues unexpectedly possessed low diarrheogenic activity in rats.

  DOI：

  10.1021/jm00125a013
• 作为产物：
  描述：

  4-cyclopropylbut-3-en-2-one 在 二氯二茂钛 、 2,4,6-collidine hydrochloride 、 锌 作用下， 以 四氢呋喃 为溶剂， 以57%的产率得到甲基(2-环丙基乙基)酮
  参考文献：
  名称：

  Titanocene-Catalyzed Conjugate Reduction of α,β-Unsaturated Carbonyl Derivatives

  摘要：

  A titanocene-catalyzed conjugate reduction of alpha,beta-unsaturated carbonyl derivatives has been developed. A series of carbonyl compounds including aldehydes, ketones, esters, and amides proved viable In the reduction process providing an efficient, chemoselective method for the catalytic reduction of unsaturated carbonyl derivatives.

  DOI：

  10.1021/ol9024315

文献信息

• [EN] 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS<br/>[FR] PYRAZOLO[1,5-A] PYRAZINES SUBSTITUÉES EN 4,6 EN TANT QU'INHIBITEURS DE LA JANUS KINASE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2016090285A1

  公开（公告）日：2016-06-09

  Compounds of Formula I: and stereoisomers and pharmaceutically acceptable salts and solvates thereof in which R1, R2, R3 and R4 have the meanings given in the specification, are inhibitors of one or more JAK kinases and are useful in the treatment of JAK kinase-associated diseases and disorders, such as autoimmune diseases, inflammatory diseases, rejection of transplanted organs, tissues and cells, as well as hematologic disorders and malignancies and their co-morbidities.

  公式I的化合物及其立体异构体和药学上可接受的盐和溶剂化合物，在其中R1、R2、R3和R4具有规范中给定的含义，是一种或多种JAK激酶的抑制剂，并且在治疗JAK激酶相关疾病和疾病方面非常有用，如自身免疫疾病、炎症性疾病、移植器官、组织和细胞的排斥反应，以及血液学疾病和恶性肿瘤及其并发症。
• Reactions of diazoalkanes with unsaturated compounds 15. Catalytic reactions of unsaturated carbonyl compounds and their derivatives with diazomethane
  作者：M. D. Khanova、R. M. Sultanova、S. S. Zlotskii、V. A. Dokichev、Yu. V. Tomilov

  DOI：10.1007/s11172-005-0348-7

  日期：2005.4

  The present study concerned with the influence of the nature of the acetal fragment in unsaturated compounds on the reactivity of the C=C bond in cyclopropanation reactions with diazomethane catalyzed by copper and palladium compounds. The acetal substituents at the α- or γ-position with respect to the C=C bond were found to exert an activating effect on the yields of cyclopropanation products compared

  本研究涉及不饱和化合物中缩醛片段的性质对铜和钯化合物催化的重氮甲烷环丙烷化反应中 C=C 键反应性的影响。发现与起始不饱和羰基化合物相比，C=C 键的 α-或 γ-位的缩醛取代基对环丙烷化产物的产率具有活化作用，后者产生 1,3-偶极环加成物CH2N2 作为副产品。双键的环丙烷化似乎由 Pd(acac)2 最有效地催化。
• Substituted Azaspiro(4.5)Decane Derivatives
  申请人：Gruenenthal GmbH

  公开号：US20160016903A1

  公开（公告）日：2016-01-21

  The invention relates to substituted spirocyclic cyclohexane derivatives which have an affinity for the μ opioid receptor and the ORL1 receptor, processes for the preparation thereof, medicaments containing these compounds and the use of these compounds for the preparation of medicaments.

  这项发明涉及对取代的螺环烷环己烷衍生物，其具有对μ阿片受体和ORL1受体的亲和力，以及其制备方法、含有这些化合物的药物和利用这些化合物制备药物的用途。
• Omega cycloalkyl prostaglandins
  申请人：G. D. Searle & Co.

  公开号：US04713477A1

  公开（公告）日：1987-12-15

  This invention encompasses prostaglandins of the formula I ##STR1## wherein R represents hydrogen or lower alkyl containing 1 to 6 carbon atoms; X represents --CH.sub.2 --, --CH.dbd.CH--, --C.tbd.C--, --CH.sub.2 --C.tbd.C--, --CH.sub.2 --CH.dbd.CH-- --CH.sub.2 --CH.sub.2 --CH.sub.2, --CH.dbd.CH--CH.sub.2 --, --C.tbd.C--CH.sub.2 --; and R.sub.1 represents cyclopropyl, cyclobutyl, cyclopentyl, 1-methylcyclopropyl or 1-methylcyclobutyl or XR.sub.1 together represent 1-methyl-1-cyclopropylethyl or 1-methyl-1-cyclobutylethyl; and R.sub.2 is lower alkyl having 1 to 4 carbon atoms or vinyl or ethynyl; the wavy line represents optional R or S sterochemistry These compounds are potent antisecretory agents.

  这项发明涵盖了公式I的前列腺素，其中R代表氢或含有1至6个碳原子的较低烷基；X代表--CH.sub.2 --，--CH.dbd.CH--，--C.tbd.C--，--CH.sub.2 --C.tbd.C--，--CH.sub.2 --CH.dbd.CH-- --CH.sub.2 --CH.sub.2 --CH.sub.2，--CH.dbd.CH--CH.sub.2 --，--C.tbd.C--CH.sub.2 --；和R.sub.1代表环丙基，环丁基，环戊基，1-甲基环丙基或1-甲基环丁基，或XR.sub.1一起表示1-甲基-1-环丙基乙基或1-甲基-1-环丁基乙基；而R.sub.2是具有1至4个碳原子的较低烷基，或乙烯或乙炔基；波浪线表示可选的R或S立体化学结构。这些化合物是有效的抗分泌剂。
• ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS
  申请人：Cassayre Jerome Yves

  公开号：US20140378415A1

  公开（公告）日：2014-12-25

  The present invention provides compounds of formula (I) wherein P is P0, heterocyclyl or heterocyclyl substituted by one to five Z formula (II); Y 1 , Y 2 , Y 3 and Y 4 are independently of each other C—H, C—R 5 , or nitrogen; G1 is oxygen or sulfur; X 4 is C 1 -C 8 haloalkyl; R 4 is aryl or aryl substituted by one to five R 9 , or heteroaryl or heteroaryl substituted by one to five R 9 ; and R 1 , R 2 , R 4 , R 5 , R 9 and Z are as defined in the claims. The invention also provides compositions comprising the compounds of formula (I), intermediates useful in the preparation of compounds of formula (I) and methods of using the compounds of formula (I) to control insects, acarines, nematodes or molluscs.

  本发明提供了公式（I）的化合物，其中P是P0、杂环基或杂环基上取代了1-5个Z式（II）；Y1、Y2、Y3和Y4独立地是C-H、C-R5或氮；G1是氧或硫；X4是C1-C8卤代烷基；R4是芳基或取代了1-5个R9的芳基，或杂芳基或取代了1-5个R9的杂芳基；而R1、R2、R4、R5、R9和Z的定义见权利要求。本发明还提供了包含公式（I）化合物的组合物、制备公式（I）化合物的中间体以及使用公式（I）化合物控制昆虫、螨、线虫或软体动物的方法。