4-甲基-5-苯基噻吩-2-羧酸 | 40133-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 4-甲基-5-苯基噻吩-2-羧酸
• 中文别名: 4-甲基-5-苯基-2-噻吩甲酸
• 英文名称: 5-Carboxy-3-methyl-2-phenylthiophen
• 英文别名: 4-methyl-5-phenyl-thiophene-2-carboxylic acid；4-Methyl-5-phenylthiophene-2-carboxylic acid
• CAS: 40133-12-8
• 化学式: C₁₂H₁₀O₂S
• mdl: MFCD01830424
• 分子量: 218.276
• InChiKey: HBQAYKRLPQFBBP-UHFFFAOYSA-N

物化性质

• 沸点：
  376.2±30.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-甲基-5-苯基噻吩-2-羧酸 生成 3-methyl-2-phenylthiophene
  参考文献：
  名称：

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

  摘要：

  DOI：
• 作为产物：
  描述：

  2-噻吩羧酸,4-甲基-5-苯基-,乙基酯 生成 4-甲基-5-苯基噻吩-2-羧酸
  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

• [EN] EP2 RECEPTOR AGONISTS<br/>[FR] AGONISTES DES RECEPTEURS EP2
  申请人：PHARMAGENE LAB LTD

  公开号：WO2005080367A1

  公开（公告）日：2005-09-01

  A compound of Formula (I) or a salt, solvate and chemically protected form thereof, wherein: R5 is an optionally substituted C5-20 aryl or C4-20 alkyl group; A is selected from the group consisting of Formulae (Ai), (Aii), (Aiii) D is selected from Formulae (Di), (Dii), (Diii), (Div), (Dv) B is selected from the group consisting of Formulae (Bi), (Bii), (Biii), (Biv) (Bv).

  一个由化学式（I）或其盐、溶剂合物和化学保护形式组成的化合物，其中：R5是一个可选择取代的C5-20芳基或C4-20烷基基团；A选自由化合物（Ai）、（Aii）、（Aiii）组成的群；D选自由化合物（Di）、（Dii）、（Diii）、（Div）、（Dv）组成的群；B选自由化合物（Bi）、（Bii）、（Biii）、（Biv）、（Bv）组成的群。
• EP2 receptor agonists
  申请人：Oxford William Alexander

  公开号：US20050256170A1

  公开（公告）日：2005-11-17

  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 consisiting 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是可选择的取代的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和可选择的取代的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和可选择的取代的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和可选择的取代的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中的一个是—Cm烷基-R2，另一个是H，m和n可以为0或1，m+n=1或2；当RP3是—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中的一个是—O—CH2—R2，另一个是H，n为0；RN为H或可选择的取代的C1-4烷基；R2为以下之一：—CO2H（羧基）；—CONH2；—CH2-OH；或四唑-5-基。
• Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers
  申请人：——

  公开号：US20030036612A1

  公开（公告）日：2003-02-20

  1 A metallocene compound of general formula (I): LGZMXp, wherein L is a divalent group, Z is a moiety of formula (II), wherein R 3 and R 4 are selected from hydrogen and hydrocarbon groups; A and B are selected from S, O or CR 5 , wherein R 5 is selected from hydrogen and hydrocarbon groups, either A or B being different from CR 5 ; G is a moiety of formula (III), wherein R 6 , R 7 , R 8 and R 9 are selected from hydrogen and hydrocarbon groups, M is an atom of a transition metal, X is selected from a halogen atom, a R 10 , OR 10 , OSO 2 CF 3 , OCOR 10 , SR 10 , NR 10 2 or PR 10 2 group, wherein the substituents R 10 is hydrogen and a hydrocarbon group; p is an integer from 0 to 3.

  一种通式为(I)的1A金属茂化合物：LGZMXp，其中L是二价基团，Z是通式(II)的一部分，其中R3和R4选择自氢和烃基团；A和B选择自S、O或CR5，其中R5选择自氢和烃基团，A或B至少有一个不同于CR5；G是通式(III)的一部分，其中R6、R7、R8和R9选择自氢和烃基团，M是一个过渡金属原子，X选择自卤素原子、R10、OR10、OSO2CF3、OCOR10、SR10、NR102或PR102基团，其中取代基R10是氢和烃基团；p是从0到3的整数。
• 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。
• EP2 Receptor Agonists
  申请人：Oxford Alexander William

  公开号：US20100261760A1

  公开（公告）日：2010-10-14

  The disclosure provides EP2 receptor agonist compounds and methods for using the compounds for treating conditions which can be alleviated by agonism of an EP2 receptor.

  本公开提供EP2受体激动剂化合物以及使用这些化合物来治疗可以通过EP2受体激动治疗缓解的疾病的方法。