2-Acetyl-4-methyl-5-phenylthiophen | 57021-59-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Acetyl-4-methyl-5-phenylthiophen
• 英文别名: 1-(4-methyl-5-phenyl-thiophen-2-yl)-ethanone；Ethanone, 1-(4-methyl-5-phenyl-2-thienyl)-；1-(4-methyl-5-phenylthiophen-2-yl)ethanone
• CAS: 57021-59-7
• 化学式: C₁₃H₁₂OS
• 分子量: 216.304
• InChiKey: LGQFRZSATDQJPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  2-Acetyl-4-methyl-5-phenylthiophen 在 sodium methylate 作用下， 以 甲醇 、 异丙醇 为溶剂， 反应 25.0h， 生成 5-(4-Methyl-5-phenyl-thiophen-2-yl)-1-phenyl-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and pharmacological characterization of heteroylpyruvic acids and their derivatives

  摘要：

  DOI：

  10.1007/bf02539222
• 作为产物：
  描述：

  3-methyl-2-phenylthiophene 生成 2-Acetyl-4-methyl-5-phenylthiophen
  参考文献：
  名称：

  CAGNIANT P.; KIRSCH G., C. R. ACAD. SCI. , 1975, C 281, NO 1, 35-38

  摘要：

  DOI：

文献信息

• EP2 RECEPTOR AGONISTS
  申请人：Oxford Alexander William

  公开号：US20080119526A1

  公开（公告）日：2008-05-22

  A compound of formula (I): or a salt, solvate and chemically protected form thereof, wherein: R 5 is an optionally substituted C 5-20 aryl or C 4-20 alkyl group; A is selected from the group consisting of: wherein X and Y are selected from the group consisting of: O and CR 3 ; S and CR 3 ; NH and CR 3 ; NH and N; O and N; S and N; N and S; and N and O, and where the dotted lines indicate a double bond in the appropriate location, and where Q is either N or CH; R 3 is selected from H, F, Cl and optionally substituted C 1-4 alkyl, C 1-4 alkoxy, C 5-7 aryl and C 5-7 aryl-C 1-4 alkyl groups; R 4 is selected from H, F, Cl and optionally substituted C 1-4 alkyl, C 1-4 alkoxy, C 5-7 aryl and C 5-7 aryl-C 1-4 alkyl groups; R 6 is selected from H, F, Cl and optionally substituted C 1-4 alkyl, C 1-4 alkoxy, C 5-7 aryl and C 5-7 aryl-C 1-4 alkyl groups; D is selected from: B is selected from the group consisting of: where R N′ is selected from H and C 1-4 alkyl; where one of R P3 and R P4 is —C m alkylene-R 2 and the other of R P3 and R P4 is H, m and n can be 0 or 1, and m+n=1 or 2; and additionally when R P3 is —C m alkylene-R 2 , m can also be 2 or 3, and m+n=1, 2, 3 or 4, and when R 2 is tetrazol-5-yl, m+n may be 0; or where one of R P3 and R P4 is —O—CH 2 —R 2 , and the other of R P3 and R P4 is H, n is 0; R N is H or optionally substituted C 1-4 alkyl; R 2 is either: —CO 2 H (carboxy); —CONH 2 ; —CH 2 —OH; or tetrazol-5-yl.

  化合物的化学式（I）：或其盐，溶剂合物和化学保护形式，其中：R5是可选取代的C5-20芳基或C4-20烷基基团；A选自以下组：其中X和Y选自以下组：O和CR3；S和CR3；NH和CR3；NH和N；O和N；S和N；N和S；以及N和O，其中虚线表示适当位置的双键，Q为N或CH；R3选自H，F，Cl和可选取代的C1-4烷基，C1-4烷氧基，C5-7芳基和C5-7芳基-C1-4烷基基团；R4选自H，F，Cl和可选取代的C1-4烷基，C1-4烷氧基，C5-7芳基和C5-7芳基-C1-4烷基基团；R6选自H，F，Cl和可选取代的C1-4烷基，C1-4烷氧基，C5-7芳基和C5-7芳基-C1-4烷基基团；D选自：B选自以下组：其中RN'选自H和C1-4烷基；其中RP3和RP4之一为—Cm烷基-R2，另一个为H，m和n可以为0或1，m+n=1或2；当RP3为—Cm烷基-R2时，m也可以为2或3，m+n=1，2，3或4，当R2为四唑-5-基时，m+n可以为0；或其中RP3和RP4之一为—O—CH2—R2，另一个为H，n为0；RN为H或可选取代的C1-4烷基；R2为：—CO2H（羧基）；—CONH2；—CH2—OH；或四唑-5-基。
• CAGNIANT P.; KIRSCH G., C. R. ACAD. SCI. <CHDC-AQ>, 1975, C 281, NO 1, 35-38
  作者：CAGNIANT P.、 KIRSCH G.

  DOI：——

  日期：——
• AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS
  申请人：RaQualia Pharma Inc.

  公开号：EP3116858B1

  公开（公告）日：2020-11-11
• US7662839B2
  申请人：——

  公开号：US7662839B2

  公开（公告）日：2010-02-16
• Synthesis and pharmacological characterization of heteroylpyruvic acids and their derivatives
  作者：T. N. Yanborisov、I. A. Zhikina、Yu. S. Andreichikov、A. V. Milyutin、A. N. Plaksina

  DOI：10.1007/bf02539222

  日期：1998.9