ethyl 3-(3-methoxyphenyl)butanoate | 73582-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 3-(3-methoxyphenyl)butanoate
• 英文别名: 3-(3-methoxy-phenyl)-butyric acid ethyl ester；3-(3-Methoxy-phenyl)-buttersaeure-aethylester；3-(m-Methoxyphenyl)-buttersaeureaethylester
• CAS: 73582-32-8
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: UHRZLTPMYMYJDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(3-methoxyphenyl)-2-butenoic acid ethyl ester 在 乙醇 、 镍 作用下， 生成 ethyl 3-(3-methoxyphenyl)butanoate
  参考文献：
  名称：

  Granger et al., Bulletin de la Societe Chimique de France, 1957, p. 815,819

  摘要：

  DOI：

文献信息

• Asymmetric Conjugate 1,4-Addition of Arylboronic Acids to α,β-Unsaturated Esters Catalyzed by Rhodium(I)/(<i>S</i>)-binap
  作者：Satoshi Sakuma、Masaaki Sakai、Ryoh Itooka、Norio Miyaura

  DOI：10.1021/jo0002184

  日期：2000.9.1

  Arylboronic acids underwent the conjugate 1,4-addition to alpha, beta-unsaturated esters to give beta-aryl esters in high yields in the presence of a rhodium(I) catalyst. The addition of arylboronic acids to isopropyl crotonate resulted in high yields and high enantioselectivity exceeding 90% ee in the presence of 3 mol % of Rh(acac)(C(2)H(4))(2) and (S)-binap at 100 degrees C. The rhodium/(S)-binap

  在铑（I）催化剂存在下，芳基硼酸与α，β-不饱和酯进行共轭1，4-加成，以高收率得到β-芳基酯。在3 mol％Rh（acac）（C（2）H（4））（2）和（S）-binap的存在下，将芳基硼酸添加到巴豆酸异丙酯中会导致高收率和高对映选择性，超过90％ee在100℃下，铑/（S）-联萘酚配合物在将苯基硼酸加到巴豆酸苄酯中时提供了（R）-3-苯基丁酸。讨论了对手性膦配体，铑前体和α，β-不饱和酯上的取代基的对映选择性的影响，以及催化循环的机理。
• Peroxisome proliferator activated receptor alpha agonists
  申请人：——

  公开号：US20040102500A1

  公开（公告）日：2004-05-27

  The present invention is directed to compounds represented by the following structural formula, and pharmaceutically acceptable salts, solvates and hydrates thereof, R1 is a substituted or unsubstituted group selected from C 1 -C 8 alkyl, aryl-C 0-2 -alkyl, heteroaryl-C 0-2 -alkyl, C 3 -C 6 cycloalkylaryl-C 0-2 -alkyl or phenyl. W is O or S. R2 is H or a substituted or unsubstituted group selected from C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl and heteroaryl. X is a C 2 -C 5 alkylene linker wherein one carbon atom of the linker may be replaced with O, NH or S. Y is C, O, S, NH or a single bond. Furthermore, E is (CH 2 ) n COOH, wherein n is 0, 1, 2 or 3, or C(R3)(R4)A, wherein A is an acidic functional group such as carboxyl, carboxamide substituted or unsubstituted sulfonamide, or substituted or unsubstituted tetrazole. R3 is H, saturated or unsaturated C 1 -C 5 alkyl, C 1 -C 5 alkoxy. Additionally, R4 is H, halo, a substituted or unsubstituted group selected from C 1 -C 5 alkyl, C 1 -C 5 alkoxy, C 3 -C 6 cycloalkyl, arylC 0 -C 4 alkyl and phenyl, or R3 and R4 are combined to form a C 3 -C 4 cycloalkyl.

  本发明涉及以下结构式所代表的化合物，以及其药用可接受的盐、溶剂化合物和水合物，其中R1是从C1-C8烷基、芳基-C0-2-烷基、杂环芳基-C0-2-烷基、C3-C6环烷基芳基-C0-2-烷基或苯基中选择的取代或未取代基团。W是O或S。R2是H或从C1-C6烷基、C3-C6环烷基和杂环芳基中选择的取代或未取代基团。X是一个C2-C5烷基亚甲基连接物，其中连接物的一个碳原子可以被O、NH或S取代。Y是C、O、S、NH或一个单键。此外，E是(CH2)nCOOH，其中n为0、1、2或3，或C(R3)(R4)A，其中A是酸性官能团，如羧基、羧酰胺取代或未取代的磺酰胺，或取代或未取代的四唑。R3是H、饱和或不饱和的C1-C5烷基、C1-C5烷氧基。另外，R4是H、卤素、从C1-C5烷基、C1-C5烷氧基、C3-C6环烷基、芳基-C0-C4烷基和苯基中选择的取代或未取代基团，或者R3和R4组合形成一个C3-C4环烷基。
• PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS
  申请人：Cano Ivan Collado

  公开号：US20090062358A1

  公开（公告）日：2009-03-05

  The present invention is directed to compounds represented by the following structural formula, and pharmaceutically acceptable salts, solvates and hydrates thereof, R1 is a substituted or unsubstituted group selected from C 1 -C 8 alkyl, aryl-C 0-2 -alkyl, heteroaryl-C 0-2 -alkyl, C3-C6 cycloalkylaryl-C 0-2 -alkyl or phenyl. W is O or S. R2 is H or a substituted or unsubstituted group selected from C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl and heteroaryl. X is a C 2 -C 5 alkylene linker wherein one carbon atom of the linker may be replaced with O, NH or S. Y is C, O, S, NH or a single bond. Furthermore, E is (CH 2 ) n COOH, wherein n is 0, 1, 2 or 3, or C(R3)(R4)A, wherein A is an acidic functional group such as carboxyl, carboxamide substituted or unsubstituted sulfonamide, or substituted or unsubstituted tetrazole. R3 is H, saturated or unsaturated C 1 -C 5 alkyl, C 1 -C 5 alkoxy. Additionally, R4 is H, halo, a substituted or unsubstituted group selected from C 1 -C 5 alkyl, C 1 -C 5 alkoxy, C 3 -C 6 cycloalkyl, arylC 0 -C 4 alkyl and phenyl, or R3 and R4 are combined to form a C 3 -C 4 cycloalkyl.

  本发明涉及以下结构式所代表的化合物，以及其药学上可接受的盐、溶剂合物和水合物，其中，R1是C1-C8烷基、芳基-C0-2-烷基、杂芳基-C0-2-烷基、C3-C6环烷基芳基-C0-2-烷基或苯基的取代或未取代基团。W为O或S。R2为H或C1-C6烷基、C3-C6环烷基和杂芳基的取代或未取代基团。X为C2-C5烷基链，在链中的一个碳原子可以被O、NH或S取代。Y为C、O、S、NH或单键。此外，E为(CH2)nCOOH，其中n为0、1、2或3，或C(R3)(R4)A，其中A为酸性功能基团，如羧基、羧酰基取代或未取代的磺酰胺基、取代或未取代的四唑基。R3为H、饱和或不饱和的C1-C5烷基、C1-C5烷氧基。此外，R4为H、卤素、C1-C5烷基、C1-C5烷氧基、C3-C6环烷基、芳基C0-C4烷基和苯基的取代或未取代基团，或R3和R4结合形成C3-C4环烷基。
• [EN] PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS<br/>[FR] AGONISTES DE RECEPTEURS ALPHA ACTIVES DE LA PROLIFERATION DES PEROXYSOMES
  申请人：LILLY CO ELI

  公开号：WO2002038553A2

  公开（公告）日：2002-05-16

  he present invention is directed to compounds represented by the following structural formula (I'), and pharmaceutically acceptable salts, solvates and hydrates thereof, R1 is a substituted or unsubstituted group selected from C1-C8 alkyl, aryl-C0-2-alkyl, heteroaryl-C0-2-alkyl, C3-C6 cycloalkylaryl-C0-2-alkyl or phenyl. W is O or S. R2 is H or a substituted or unsubstituted group selected from C1-C6 alkyl, C3-C6 cycloalkyl and heteroaryl. X is a C2-C5 alkylene linker wherein one carbon atom of the linker may be replaced with O, NH or S. Y is C, O, S, NH or a single bond. Furthermore, E is (CH2)nCOOH, wherein n is 0, 1, 2 or 3, or C(R3)(R4)A, wherein A is an acidic functional group such as carboxyl, carboxamide substituted or unsubstituted sulfonamide, or substituted or unsubstituted tetrazole. R3 is H, saturated or unsaturated C1-C5 alkyl, C1-C5 alkoxy. Additionally, R4 is H, halo, a substituted or unsubstituted group selected from C1-C5 alkyl, C1-C5 alkoxy, C3-C6 cycloalkyl, arylC0-C4alkyl and phenyl, or R3 and R4 are combined to form a C3-C4 cycloalkyl.

  本发明涉及如下所示结构式(I')表示的化合物及其药学上可接受的盐、溶剂化物和水合物。R1是自C1-C8烷基、C0-2烷基芳基、C0-2烷基杂芳基、C3-C6环烷基芳基-C0-2烷基或苯基中选择的取代或未取代基团。W是O或S。R2是H，或自C1-C6烷基、C3-C6环烷基和杂芳基中选择的取代或未取代基团。X是C2-C5亚烷基连接基团，其中连接基团的一个碳原子可被O、NH或S替换。Y是C、O、S、NH或单键。此外，E是(CH2)nCOOH，其中n=0、1、2或3，或C(R3)(R4)A，其中A为酸性功能基团，如羧基、羧酸酰胺、取代或未取代磺酰胺，或取代或未取代的四氮唑。R3是H、饱和或不饱和C1-C5烷基、C1-C5烷氧基。另外，R4是H、卤素、自C1-C5烷基、C1-C5烷氧基、C3-C6环烷基、C0-C4烷基芳基和苯基中选择的取代或未取代基团，或R3和R4结合形成C3-C4环烷基。
• Horii et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 150,152
  作者：Horii et al.

  DOI：——

  日期：——