1-(4-methyl-[2]thienyl)-propan-1-one | 106265-82-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-methyl-[2]thienyl)-propan-1-one
• 英文别名: 1-(4-Methyl-[2]thienyl)-propan-1-on；1-(4-Methylthiophen-2-yl)propan-1-one
• CAS: 106265-82-1
• 化学式: C₈H₁₀OS
• 分子量: 154.233
• InChiKey: DEMHRDOMIUIXQG-UHFFFAOYSA-N

物化性质

• 沸点：
  98-99 °C(Press: 5 Torr)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-methyl-[2]thienyl)-propan-1-one 在 alkaline aqueous sodium hypochlorite solution 作用下， 生成 4-甲基-2-噻吩甲酸
  参考文献：
  名称：

  Condensations Effected by Boron Fluoride Complexes. III. The Acylation of Certain Substituted Thiophenes and Furans¹

  摘要：

  DOI：

  10.1021/ja01164a103
• 作为产物：
  描述：

  3-甲基噻吩 、 丙酸酐 在 boron fluoride ether 作用下， 生成 1-(4-methyl-[2]thienyl)-propan-1-one 、 2-丙酰基-3-甲基噻吩
  参考文献：
  名称：

  Condensations Effected by Boron Fluoride Complexes. III. The Acylation of Certain Substituted Thiophenes and Furans¹

  摘要：

  DOI：

  10.1021/ja01164a103

文献信息

• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2017214505A1

  公开（公告）日：2017-12-14

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物、以及使用这种化合物治疗或预防与酶神经鞘糖脂转移酶（CGT）相关的疾病或紊乱的方法，例如溶酶体贮积症。溶酶体贮积症的例子包括 Krabbe 病和白质变性白血病。
• Functionalized Thieno[3,2‐ <i>b</i> ]pyrroles from Acylthiophenes, Acetylene Gas and Hydrazines in Two Steps
  作者：Elena Yu. Schmidt、Nadezhda V. Semenova、Inna V. Tatarinova、Igor A. Ushakov、Alexander V. Vashchenko、Boris A. Trofimov

  DOI：10.1002/ejoc.202100377

  日期：2021.5.20

  Rarely substituted thieno[3,2-b]pyrroles are synthesized in up to 68 % yields by the acid-assisted reaction of arylhydrazines with thienyl-substituted 6,8-dioxabicyclo[3.2.1]octanes, the products of the superbase-promoted diastereoselective self-organization of acetylene gas with acylthiophenes.

  通过芳基肼与噻吩基取代的6,8-二氧杂双环[3.2.1]辛烷（超强碱促进的产物）的酸辅助反应，可以以高达68％的产率合成很少取代的噻吩并[3,2- b ]吡咯乙炔气与酰基噻吩的非对映选择性自组织。
• ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF
  申请人：Chiesi Farmaceutici S.p.A.

  公开号：US20130196978A1

  公开（公告）日：2013-08-01

  Alkaloid aminoester compounds which act as muscarinic receptor antagonists are useful for the prevention and/or treatment of a broncho-obstructive or inflammatory diseases.

  生物碱氨酯化合物，其作为毒蕈碱受体拮抗剂，对于预防和/或治疗支气管阻塞性或炎症性疾病是有用的。
• Leukotriene antagonists, their production, and compositions containing them
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0104885A1

  公开（公告）日：1984-04-04

  Compounds of the formulae: and their pharmaceutically acceptable (including acid- addition) salts, which are novel, are antagonists of leukotrienes of C4, D4 and E4, the slow reacting substance of anaphylaxis. They can be made into pharmaceutical compositions by incorporating them in a pharmaceutical carrier. In the formulae, each R is H, OH, SH, C1-8 alkyl, C2-8 alkenyl, CF3, C1-8 alkoxy, C1-8 alkylthio, phenyl, phenyl having C1-3 alkyl or halogen substitution, phen (C2-4 alkyl), halogen, amino, N(R4)2, COOR4 or CH2OR4 where R4 is H or C1-8 alkyl, formyl, CN, CF3S or NO2; each R' is R4; OR4; COOR4; N(R4)2; SR4; CH2OR4 orCHO; , or together R' and R' are 0, CH2 or Y is oxyge, sulfur, sulfoxide, sulfone, = NR12, = N - CO - R13 or - N - CN, where R11 is C1-4 alkyl, R12 is H or C1-4 atkyl and R13 is C1-4 alkyl or C1-4 alkoxy; Y' is Y, each R1 is hydrogen or C1-3 alkyl; each m is an integer from 0 to 6; R2 is where Z is O. S, CH2, H and OH, C1-4 alkenyl, or = N - R14, where R14 is OH, CN, COOH, halogen, formyl, C1-8 acyl, C1-8 alkyl, C1-8 alkoxy, C1-8 halogenated alkyl, phenyl, or phenyl having C1-3 alkyl or C1-3 alkoxy substitution; each Re is H or C1-4 alkyl; each R7 is H, OH or C1-4 alkyl; each R8 is H or C1-4 alkyl and is absent when the two indicated carbons are triply bonded; R5 is COOR4; CH2OH; CHO; tetrazole; NHSO2R14; CON-HSO2R14 hydroxymethylketone; CN; CON(R7)2; a monocyclic or bicyclic heterocyclic ring containing an acidic hydroxyl group; or COOR15 where R15 is: where each s is independently 0-3, R6 is as defined above and R16 is (A) a monocyclic or bicyclic heterocyclic radical containing from 3 to 12 nuclear carbon atoms and 1 or 2 N heteroatoms or one N and one S heteratom, each ring in the heterocyclic radical being formed of 5 or 6 atoms, or (B) W-R17 where W is O, S or NH and R17 contains up to 21 carbon atoms and is (1) a hydrocarbon radical or (2) an acyl radical or an organic acyclic or monocyclic carboxylic acid containing not more than 1 heteroatom in the ring; each of r and q is 0-20 but r + q does not exceed 20; and p is 0 or 1; R3 is C1-6 alkyl or C3-8 alkenyl; R9 is C1-8 alkyl, C1-8 alkoxy or (CH2)rR5, where r and Rs are as defined above: and R10 is H, C1-8 alkyl; R4CO- or R4OCH2, where R4 is as defined above. The compounds are prepared by condensing together two compounds having appropriately substituted benzene rings, one of which contains a halogen atom in the chain containing Y and Y', which removes a hydrogen atom from the ring of the other compound.

  式中的化合物： 及其药学上可接受的（包括酸加成）盐是一种新型的白三烯 C4、D4 和 E4 拮抗剂，白三烯 C4、D4 和 E4 是过敏性休克的慢反应物质。它们可以通过加入药物载体制成药物组合物。 式中，每个 R 是 H、OH、SH、C1-8 烷基、C2-8 烯基、CF3、C1-8 烷氧基、C1-8 烷硫基、苯基、具有 C1-3 烷基或卤素取代的苯基、苯基（C2-4 烷基）、卤素、氨基、N(R4)2、COOR4 或 CH2OR4，其中 R4 是 H 或 C1-8 烷基、甲酰基、CN、CF3S 或 NO2； 每个 R'是 R4；OR4；COOR4；N(R4)2；SR4；CH2OR4 或 CHO；或 R'和 R'合起来是 0、CH2 或 Y。 Y 是氧、硫、亚砜、砜、 =NR12、=N - CO - R13 或 - N - CN，其中 R11 是 C1-4 烷基，R12 是 H 或 C1-4 戊基，R13 是 C1-4 烷基或 C1-4 烷氧基； Y' 是 Y、 每个 R1 是氢或 C1-3 烷基；每个 m 是 0-6 的整数； R2 是 其中 Z 是 O、S、CH2、H 和 OH、C1-4 烯基，或＝N-R14，其中 R14 是 OH、CN、COOH、卤素、甲酰基、C1-8酰基、C1-8烷基、C1-8烷氧基、C1-8 卤代烷基、苯基或具有 C1-3 烷基或 C1-3 烷氧基取代的苯基；每个 Re 是 H 或 C1-4 烷基；每个 R7 是 H、OH 或 C1-4 烷基；每个 R8 是 H 或 C1-4 烷基，当两个指示碳是三键结合时不存在； R5 是 COOR4；CH2OH；CHO；四唑；NHSO2R14；CON-HSO2R14 羟甲基酮；CN；CON(R7)2；含有酸性羟基的单环或双环杂环；或 COOR15，其中 R15 是： 其中每个 s 独立地为 0-3，R6 如上文所定义，R16 为 (A) 单环或双环杂环基，含有 3 至 12 个核碳原子和 1 或 2 个 N 杂原子或 1 个 N 和 1 个 S 杂原子，杂环基中的每个环由 5 或 6 个原子组成，或 (B) W-R17，其中 W 为 O、S 或 NH，R17 含有多达 21 个碳原子，并且 (1) 是烃基或 (2) 是酰基或环中含有不超过 1 个杂原子的有机无环或单环羧酸； r 和 q 各为 0-20，但 r + q 不超过 20；以及 p 为 0 或 1； R3 是 C1-6 烷基或 C3-8 烯基； R9 是 C1-8 烷基、C1-8 烷氧基或 (CH2)rR5，其中 r 和 Rs 如上定义：以及 R10 是 H、C1-8 烷基；R4CO- 或 R4OCH2，其中 R4 如上定义。 这些化合物的制备方法是将两个具有适当取代的苯环的化合物缩合在一起，其中一个化合物在含有 Y 和 Y' 的链中含有一个卤素原子，从而从另一个化合物的环中除去一个氢原子。
• Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions
  申请人：Merck & Co., Inc.

  公开号：EP0156233A2

  公开（公告）日：1985-10-02

  Leukotriene antagonists have been found to be useful for inducing cytoprotection via an unspecified mechanism. Specific therapeutic utilities include, erosive gastritis, erosive esophagitis, inflammatory bowel disease, and induced hemorrhagic gastric erosions such as those caused by indomethacin or ethanol. The leukotriene antagonists are used to produce cytoprotective pharmaceutical compositions. In a process for producing cytoprotective pharmaceutical compositions the leukotriene antagonists are incorporated into a corresponding composition in a cytoprotective effective amount.

  已发现白三烯拮抗剂可通过不明机制诱导细胞保护，具体的治疗用途包括侵蚀性胃炎、侵蚀性食管炎、炎症性肠病和诱发出血性胃糜烂，如由吲哚美辛或乙醇引起的胃糜烂。 白三烯拮抗剂可用于生产细胞保护药物组合物。 在生产细胞保护药物组合物的过程中，白三烯拮抗剂以细胞保护有效量加入相应的组合物中。