3-<5-Methyl-<2>furyl>-propionylchlorid | 1484-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 3-<5-Methyl-<2>furyl>-propionylchlorid
• 英文别名: 3-(5-Methylfuran-2-yl)propanoyl chloride
• CAS: 1484-46-4
• 化学式: C₈H₉ClO₂
• 分子量: 172.611
• InChiKey: QXUPDBSPYCPGGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  51 °C(Press: 3 Torr)
• 密度：
  1.1421 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-<5-Methyl-<2>furyl>-propionylchlorid 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (2-Chloro-phenyl)-[3-(5-methyl-furan-2-yl)-propyl]-amine
  参考文献：
  名称：

  Intramolecular Diels-Alder Reaction of Benzynes: A Novel Strategy for the Construction of Tetrahydrobenzazepine Skeletons

  摘要：

  Intramolecular Diels-Alder reaction of benzynes, generated from ortho-haloaniline derivatives by the action of lithium 2,2,6,6-tetramethylpiperidide, with furans has been developed as a novel route for the construction of tetrahydrobenzazepine skeletons.

  DOI：

  10.3987/com-93-6557
• 作为产物：
  描述：

  3-(5'-甲基-2'-呋喃基)丙酸 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 3-<5-Methyl-<2>furyl>-propionylchlorid
  参考文献：
  名称：

  Intramolecular cyclopropanation reaction of furanyl diazo ketones

  摘要：

  DOI：

  10.1021/jo00263a009

文献信息

• N-substituted peptidyl nitriles as cysteine cathepsin inhibitors
  申请人：——

  公开号：US20030158256A1

  公开（公告）日：2003-08-21

  Compounds of the formula (I), wherein R 1 is aryl or biaryl; R 2 is aryl-lower alkyl, biaryl-lower alkyl, benzo-fused cycloalkyl, cycloalkyl-lower alkyl, bicycloalkyl-lower alkyl, aryloxy-lower alkyl, or aryl-C 2 -C 7 -alkyl in which C 2 -C 7 -alkyl is interrupted by Y; Y is O, S, SO, SO 2 , CO or NR 6 ; R 3 is hydrogen or lower alkyl; or R 2 and R 3 combined are C 2 -C 7 -alkylene or C 2 -C 7 -alkylene interrupted by Y; R 4 is hydrogen or lower alkyl; R 5 is hydrogen, optionally substituted lower alkyl, aryl-lower alkyl, biaryl-lower alkyl, cycloalkyl-lower alkyl, bicycloalkyl-lower alkyl, aryloxy-lower alkyl, or aryl-C 2 -C 7 -alkyl in which C 2 -C 7 -alkyl is interrupted by Y; R 6 is hydrogen, lower alkyl or aryl-lower alkyl; and pharmaceutically acceptable salts thereof, which are useful as cysteine cathepsin inhibitors.

  式（I）的化合物，其中R1是芳基或联苯基；R2是芳基-较低烷基，联苯基-较低烷基，苯并环烷基，环烷基-较低烷基，双环烷基-较低烷基，芳氧基-较低烷基，或芳基-C2-C7-烷基，其中C2-C7-烷基被Y中断；Y是O，S，SO，SO2，CO或NR6；R3是氢或较低烷基；或R2和R3结合形成C2-C7-烷基或C2-C7-烷基被Y中断；R4是氢或较低烷基；R5是氢，可选择取代的较低烷基，芳基-较低烷基，联苯基-较低烷基，环烷基-较低烷基，双环烷基-较低烷基，芳氧基-较低烷基，或芳基-C2-C7-烷基，其中C2-C7-烷基被Y中断；R6是氢，较低烷基或芳基-较低烷基；及其药学上可接受的盐，可用作半胱氨酸蛋白酶抑制剂。
• NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME
  申请人：Chen Meng-Hsin

  公开号：US20120172374A1

  公开（公告）日：2012-07-05

  Compounds represented by the formula (I) or pharmaceutically acceptable salts thereof: R 2 —Y—Z-Q-A-R 1 Formula (I) wherein R 1 , R 2 , Y, Z, Q, and A are as defined. These compounds are inhibitors of tubulin polymerization by binding at colchicines binding site and are useful in the treatment of tumors or mitotic diseases such as cancers, gout, and other conditions associated with abnormal cell proliferation.

  由以下公式（I）代表的化合物或其药用盐：R2—Y—Z-Q-A-R1 公式（I） 其中R1、R2、Y、Z、Q和A如定义。这些化合物通过结合秋水仙碱结合位点来抑制微管聚合，可用于治疗肿瘤或有丝分裂疾病，如癌症、痛风和其他与异常细胞增殖有关的疾病。
• [EN] LABELLED COMPOUNDS AND THEIR USE FOR IMAGING AND/OR THEIR USE FOR THE DIAGNOSIS OF CONDITIONS OR DISEASES<br/>[FR] COMPOSÉS MARQUÉS ET LEUR UTILISATION POUR L'IMAGERIE ET/OU LEUR UTILISATION POUR LE DIAGNOSTIC D'AFFECTIONS OU DE MALADIES
  申请人：VAL CHUM LP

  公开号：WO2020210914A1

  公开（公告）日：2020-10-22

  The invention relates to compounds for use in imaging and/or for the diagnosis of conditions or diseases associated with an altered level of Neprilysin (NEP/CD10) in a subject having, or suspected of having said conditions or diseases. In particular, a compound of formula or a pharmaceutically acceptable salt thereof, wherein R1 and R2 are each individually, H, an optionally substituted straight, branched or cyclic alkyl, an optionally substituted pyridylmethyl, or an optionally substituted benzyl; wherein at least one of R1, R2 and C* is comprising a positron emitting radioisotope is used.

  该发明涉及用于成像和/或诊断与受影响的Neprilysin（NEP/CD10）水平有关的疾病或病症的化合物，该疾病或病症在患有或被怀疑患有该疾病或病症的受试者中。特别地，一种具有下列结构的化合物或其药学上可接受的盐，其中R1和R2分别是H、一个可选择地取代的直链、支链或环烷基、一个可选择地取代的吡啶甲基或一个可选择地取代的苄基；其中R1、R2和C*中至少有一个含有正电子发射放射性同位素。
• Preparatively Useful Method for the Synthesis of Diels-Alder Adducts between Furan and Methyl Acrylate
  作者：Hiyoshizo Kotsuki、Kazuhiko Asao、Hiroyuki Ohnishi

  DOI：10.1246/bcsj.57.3339

  日期：1984.11

  The Diels-Alder adducts of furan with methyl acrylate were successfully prepared by two methods on a preparative scale. The BF3·OEt2-catalyzed reaction of furan with methyl acrylate gave a 7:3 mixture of endo and exo adducts in 75.7% yield. When acryloyl chloride was used as a dienophile, after esterification with methanol, a 3:7 mixture of the same adducts was obtained in 76.5% overall yield.

  呋喃与丙烯酸甲酯的 Diels-Alder 加合物通过两种方法在制备规模上成功制备。BF3·OEt2 催化呋喃与丙烯酸甲酯的反应以75.7% 的产率得到7:3 的内加合物和外加合物的混合物。当丙烯酰氯用作亲二烯体时，在用甲醇酯化后，以 76.5% 的总收率获得相同加合物的 3:7 混合物。
• [EN] N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS<br/>[FR] UTILISATION DE PEPTIDYL NITRILES A SUBSTITUTION- N COMME INHIBITEURS DES CATHEPSINES DE CYSTEINE
  申请人：NOVARTIS AG

  公开号：WO2001087828A1

  公开（公告）日：2001-11-22

  Compounds of the formula (I), wherein R1 is aryl or biaryl; R2 is aryl-lower alkyl, biaryl-lower alkyl, benzo-fused cycloalkyl, cycloalkyl-lower alkyl, bicycloalkyl-lower alkyl, aryloxy-lower alkyl, or aryl-C2-C7-alkyl in which C2-C7-alkyl is interrupted by Y; Y is O, S, SO, SO2, CO or NR6; R3 is hydrogen or lower alkyl; or R2 and R3 combined are C2-C7-alkylene or C2-C7-alkylene interrupted by Y; R4 is hydrogen or lower alkyl; R5 is hydrogen, optionally substituted lower alkyl, aryl-lower alkyl, biaryl-lower alkyl, cycloalkyl-lower alkyl, bicycloalkyl-lower alkyl, aryloxy-lower alkyl, or aryl-C2-C7-alkyl in which C2-C7-alkyl is interrupted by Y; R6 is hydrogen, lower alkyl or aryl-lower alkyl; and pharmaceutically acceptable salts thereof, which are useful as cysteine cathepsin inhibitors.

  该式化合物（I）的化合物，其中R1是芳基或双芳基；R2是芳基-较低烷基，双芳基-较低烷基，苯并环烷基，环烷基-较低烷基，双环烷基-较低烷基，芳氧基-较低烷基，或芳基-C2-C7-烷基，其中C2-C7-烷基被Y中断；Y是O，S，SO，SO2，CO或NR6；R3是氢或较低烷基；或R2和R3结合是C2-C7-亚烷基或C2-C7-亚烷基，其中被Y中断；R4是氢或较低烷基；R5是氢，可选择性取代的较低烷基，芳基-较低烷基，双芳基-较低烷基，环烷基-较低烷基，双环烷基-较低烷基，芳氧基-较低烷基，或芳基-C2-C7-烷基，其中C2-C7-烷基被Y中断；R6是氢，较低烷基或芳基-较低烷基；以及其药学上可接受的盐，它们可用作半胱氨酸蛋白酶抑制剂。