(E)-5-methylhex-2-enoic acid chloride

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: (E)-5-methylhex-2-enoic acid chloride
• 英文别名: 5-methyl-2-hexenoyl chloride；5-Methyl-2-hexensaeurechlorid；5-methyl-hex-2-enoyl chloride；trans-5-methylhex-2-enoyl chloride；(E)-5-methylhex-2-enoyl chloride
• 化学式: C₇H₁₁ClO
• 分子量: 146.617
• InChiKey: ZVGFHQPSUPUVOQ-HWKANZROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  (E)-5-methylhex-2-enoic acid chloride 在 吡啶 、 N-甲基吡咯烷酮 、 sodium hydride 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 反应 19.0h， 生成 N-甲基芸香碱
  参考文献：
  名称：

  Anand, R C; Sinha, A K, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 6, p. 604 - 605

  摘要：

  DOI：
• 作为产物：
  描述：

  (2E)-5-甲基-2-己烯酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 (E)-5-methylhex-2-enoic acid chloride
  参考文献：
  名称：

  使用二乙基锌作为化学计量还原剂的非对映选择性钴催化的还原性醛醇缩环化反应。

  摘要：

  [反应：见正文]钴催化为使用二乙基锌还原α，β-不饱和酰胺的烯醇锌的生成提供了一种新方法。该方法已应用于高产非对映选择性还原醛醇缩合环化反应。

  DOI：

  10.1021/ol061329d

文献信息

• Diastereoselective Nickel-Catalyzed Reductive Aldol Cyclizations Using Diethylzinc as the Stoichiometric Reductant: Scope and Mechanistic Insight
  作者：Pekka M. Joensuu、Gordon J. Murray、Euan. A. F. Fordyce、Thomas Luebbers、Hon Wai Lam

  DOI：10.1021/ja0775624

  日期：2008.6.1

  In the presence of diethylzinc as a stoichiometric reductant, Ni(acac) 2 functions as an efficient precatalyst for the reductive aldol cyclization of alpha,beta-unsaturated carbonyl compounds tethered to a ketone electrophile through an amide or an ester linkage. The reactions are tolerant of a wide range of substitution at both alpha,beta-unsaturated carbonyl and ketone components and proceed smoothly

  在二乙基锌作为化学计量还原剂的存在下，Ni(acac) 2 充当有效的预催化剂，用于通过酰胺或酯键连接到酮亲电子试剂的 α,β-不饱和羰基化合物的还原醛醇环化。这些反应在 α、β-不饱和羰基和酮组分上都可以进行广泛的取代，并且可以顺利进行以提供通常具有高非对映选择性的 β-羟基内酰胺和 β-羟基内酯。进行了一系列实验，包括氘标记研究，以试图深入了解可能起作用的可能反应机制。
• 2,3,6,7-Tetrahydrothiazolo[3,2-a]pyrimidine derivatives having
  申请人：Rhone-Poulenc Industries

  公开号：US04419356A1

  公开（公告）日：1983-12-06

  Thiazolo[3,2-a]pyrimidine derivative of the formula: ##STR1## wherein R represents phenyl, alkyl of 1 through 4 carbon atoms, alkyl of 1 through 4 carbon atoms substituted by 1 through 3 halogen atom, alkenyl of 2 through 4 carbon atoms, or cycloalkyl of 3 through 6 carbon atoms and R.sub.1 represents hydrogen, or R and R.sub.1 each represent phenyl or unsubstituted alkyl of 1 through 4 carbon atoms, or R and R.sub.1 together represent an alkylene radical of 4 or 5 carbon atoms, and R.sub.2 and R.sub.3 each represent hydrogen or unsubstituted alkyl of 1 through 4 carbon atoms, or R and R.sub.1 each represent hydrogen, and one of R.sub.2 and R.sub.3 represents hydrogen and the other represents unsubstituted alkyl of 1 through 4 carbon atoms, or R.sub.2 and R.sub.3 both represent unsubstituted alkyl of 1 through 4 carbon atoms, are new compounds possessing pharmacological properties. They are especially useful in the treatment of rheumatic disease or allergic states, or as analgesics. Processes for the preparation of the compounds are described.

  该化合物为Thiazolo [3,2-a]吡咯嘧啶衍生物，其化学式为：##STR1## 其中R代表苯基，1至4个碳原子的烷基，1至4个碳原子的烷基被1至3个卤素原子取代，2至4个碳原子的烯基或3至6个碳原子的环烷基，R.sub.1代表氢，或R和R.sub.1各自代表苯基或未取代的1至4个碳原子的烷基，或R和R.sub.1一起代表4或5个碳原子的烷基，R.sub.2和R.sub.3各自代表氢或未取代的1至4个碳原子的烷基，或R和R.sub.1各自代表氢，而R.sub.2和R.sub.3中的一个代表氢，另一个代表未取代的1至4个碳原子的烷基，或R.sub.2和R.sub.3都代表未取代的1至4个碳原子的烷基，是具有药理学特性的新化合物。它们在治疗风湿病或过敏状态或作为镇痛剂方面特别有用。描述了制备该化合物的过程。
• PROCESS FOR PREPARING PREGABALIN
  申请人：Pradhan B. S.

  公开号：US20120142949A1

  公开（公告）日：2012-06-07

  The invention relates to a process for preparing a compound of formula (I): wherein said process comprises hydrogenation of a compound of formula (II); under alkaline conditions, wherein R represents hydrogen or a labile group capable of being converted to hydrogen. The invention also relates to intermediates used in said process, to the use of said intermediates in the preparation of pregabalin and to a process for resolving racemic compounds of formula (I).

  本发明涉及一种制备式（I）化合物的过程，其中该过程包括在碱性条件下对式（II）化合物进行加氢反应，其中R代表氢或能够转化为氢的易失基团。本发明还涉及用于该过程的中间体，用于制备pregabalin的该中间体的使用以及用于分离式（I）的外消旋化合物的过程。
• Novel heterocyclic compound and medicinal use thereof
  申请人：——

  公开号：US20040220215A1

  公开（公告）日：2004-11-04

  The novel heterocyclic compound of the present invention is a novel heterocyclic compound having the formula (I) 1 Y: 2 wherein R 1 is H or C 1-6 alkyl, R 2 is H, —CO—C(R 4 )═C(R 4 )—R 5 wherein R 4 is H or C 1-4 alkyl, and R 5 is C 4-8 alkyl, C 2-8 alkenyl and the like, and the like, Y is the following group wherein X is O or S, R 7 is the same as R 4 , R 8 is R 10 —C(R 9 )═C(R 9 )— wherein R 9 is the same as R 4 , R 10 is C 3-6 alkyl and the like, and the like, R 14 is the same as R 4 , and R 15 is aryl and the like, Y—(CH 2 )n-O— is bonded to the 6- or 7-position of the tetrahydroisoquinoline skeleton, and n is an integer of 1 to 4, or a pharmaceutically acceptable salt thereof. The compound (I) of the present invention is useful as a hypoglycemic agent, a hypolipidemic agent, an insulin resistance improver, a therapeutic agent of diabetes, a therapeutic agent of diabetic complications, a glucose tolerance improver, an anti-arteriosclerosis agent, an anti-obesity agent, an antiinflammatory agent, an agent for the prophylaxis or treatment of PPAR-mediated diseases or an agent for the prophylaxis or treatment of syndrome X.

  本发明的新型杂环化合物是一种具有以下式子(I)1Y:2的新型杂环化合物，其中R1为H或C1-6烷基，R2为H，-CO-C(R4)═C(R4)-R5，其中R4为H或C1-4烷基，R5为C4-8烷基、C2-8烯基等，Y为以下基团，其中X为O或S，R7与R4相同，R8为R10-C(R9)═C(R9)-，其中R9与R4相同，R10为C3-6烷基等，R14与R4相同，R15为芳基等，Y-(CH2)n-O-与四氢异喹啉骨架的6-或7-位结合，n为1到4的整数，或其药学上可接受的盐。本发明的化合物(I)可用作降血糖剂、降血脂剂、胰岛素抵抗改善剂、糖尿病治疗剂、糖尿病并发症治疗剂、葡萄糖耐受改善剂、抗动脉硬化剂、抗肥胖剂、抗炎剂、PPAR介导疾病的预防或治疗剂或综合征X的预防或治疗剂。
• HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES
  申请人：SYROS PHARMACEUTICALS, INC.

  公开号：US20160264552A1

  公开（公告）日：2016-09-15

  The present invention provides novel compounds of Formula (I) and Formula (II), and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase, such as a cyclin-dependent kinase (CDK) (e.g., cyclin-dependent kinase 7 (CDK7)), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject. (I)

  本发明提供了公式（I）和公式（II）的新型化合物，以及其药学上可接受的盐，溶剂合物，水合物，互变异构体，立体异构体，同位素标记衍生物和组合物。还提供了涉及这些化合物或组合物的方法和套件，用于治疗或预防主体中的增殖性疾病（例如，癌症（例如，白血病，黑色素瘤，多发性骨髓瘤），良性肿瘤，血管生成，炎症性疾病，自身炎症性疾病和自身免疫性疾病）。使用本发明的化合物或组合物治疗具有增殖性疾病的主体，可以抑制激酶的异常活性，例如细胞周期依赖性激酶（CDK）（例如细胞周期依赖性激酶7（CDK7）），从而在主体中诱导细胞凋亡和/或抑制转录。(I)