2-羟基-3-甲基苯乙酸 | 714252-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-羟基-3-甲基苯乙酸
• 英文名称: (2-hydroxy-3-methyl-phenyl)-acetic acid
• 英文别名: (2-Hydroxy-3-methyl-phenyl)-essigsaeure；2-Hydroxy-3-methylphenylacetic acid；2-(2-hydroxy-3-methylphenyl)acetic acid
• CAS: 714252-13-8
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: JADFOLPTRGGJBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-羟基-3-甲基苯乙酸 生成 7-methylbenzofuran-2(3H)-one
  参考文献：
  名称：

  Aubert et al., Acta Chemica Scandinavica (1947), 1952, vol. 6, p. 433,438

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 磷化氢 、 氢碘酸 作用下， 生成 2-羟基-3-甲基苯乙酸
  参考文献：
  名称：

  Aubert et al., Acta Chemica Scandinavica (1947), 1952, vol. 6, p. 433,438

  摘要：

  DOI：

文献信息

• 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity
  申请人：Maekawa Tsuyoshi

  公开号：US20060148858A1

  公开（公告）日：2006-07-06

  A compound represented by the formula (1) wherein ring A is a ring optionally having 1 to 3 substituents; ring B is a 1,2-azole ring which may further have 1 to 3 substituents; Xa, Xb and Xc are the same or different and each is a bond, —O—, —S— and the like; Ya is a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; Yb and Yc are the same or different and each is a bond or a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; ring C is a monocyclic aromatic ring which may further have 1 to 3 substituents; and R represents —OR 4 (R 4 is hydrogen atom or optionally substituted hydrocarbon group) and the like, or a salt thereof or a prodrug thereof is useful as an agent for the prophylaxis or treatment of diabetes and the like.

  化合物的化学式为(1)，其中环A是一个环，可以有1到3个取代基；环B是一个1,2-咪唑环，可以进一步具有1到3个取代基；Xa，Xb和Xc相同或不同，每个都是键，-O-，-S-等；Ya是具有1到20个碳原子的二价脂肪烃残基；Yb和Yc相同或不同，每个都是键或具有1到20个碳原子的二价脂肪烃残基；环C是一个单环芳香环，可以进一步具有1到3个取代基；R代表-OR4（R4是氢原子或可选的取代烃基）等，或其盐或前药，可用作预防或治疗糖尿病等的药物。
• Arylalkanoic Acid Derivative
  申请人：Maekawa Tsuyoshi

  公开号：US20080051418A1

  公开（公告）日：2008-02-28

  A compound represented by the formula (I): wherein Ar is an optionally substituted aromatic ring; Xa, Xc, Ya, Yc, Z 1 and Z 2 are each a bond, O, S, —CO—, —CS—, —CR 3 (OR 4 )—, —NR 5 —, —SO—, —SO 2 —, —CONR 6 — or —NR 6 CO— (wherein R 3 , R 4 , R 5 and R 6 are as defined in the specification); Xb and Yb are each a bond or a divalent hydrocarbon group having 1 to 20 carbon atoms; R 1 is an optionally substituted hydrocarbon group; ring A is an optionally further substituted aromatic ring, provided that the ring should not be benzimidazole; n is an integer of 1 to 8; ring B is an optionally further substituted aromatic ring, provided that the ring should not be oxazole; W is a divalent saturated hydrocarbon group having 1 to 20 carbon atoms; and R 2 is —OR 8 or —NR 9 R 10 (wherein R 8 , R 9 and R 10 are as defined in the specification) or a salt thereof, is useful as an agent for the prophylaxis or treatment of diabetes and the like.

  化合物式(I)所代表的复合物，其中Ar是一个可选择性取代的芳香环；Xa、Xc、Ya、Yc、Z1和Z2分别是键合、O、S、—CO—、—CS—、—CR3(OR4)—、—NR5—、—SO—、—SO2—、—CONR6—或—NR6CO—（其中R3、R4、R5和R6如规范中所定义）；Xb和Yb分别是一个键合或具有1到20个碳原子的二价碳氢基团；R1是一个可选择性取代的碳氢基团；环A是一个可选择性进一步取代的芳香环，但不应为苯并咪唑；n是1到8的整数；环B是一个可选择性进一步取代的芳香环，但不应为噁唑；W是一个具有1到20个碳原子的二价饱和碳氢基团；和R2是—OR8或—NR9R10（其中R8、R9和R10如规范中所定义）或其盐，用作预防或治疗糖尿病等疾病的药剂。
• Novel arylacitic acid derivatives
  申请人：PHARMACIA AB

  公开号：EP0150166A1

  公开（公告）日：1985-07-31

  A compound having a potentially inhibitory effect on 15-hydroxy-prostaglandin dehydrognase (PGDH) and having the formula in which R1 and R2 are hydrogen or lower alkyl; R3 is hydrogen, lower alkyl or substituted or unsubstituted phenyl; R4, R5 and Re are hydrogen, halogen, lower alkyl, lower alkoxy, cyano, carboxy or nitro; at least one of the groups R4 to R6 being hydrogen; R7 to R11 are hydrogen, halogen, cyano, lower alkyl, trifluoromethyl, lower alkoxy, hydroxy, lower acyl, lower alkoxycarbonyl, N,N,-diloweralkyl-aminocarbonyl or N,N-loweralkylene-aminocarbonyl; and R8 to R10 may in addition be carboxy; at least two of R7 to R11 always being hydrogen; and -A- is -CO-, -CH2-CO-, -CH=CH-, -CH=CH-CO- or corresponding groups in which a hydrogen atom is replaced by a lower alkyl group. The invention comprises also lactones of those compounds in which R1 is hydrogen, and salts of those compounds which contain at least one carboxy group.

  一种对 15-羟基-前列腺素脱氢酶（PGDH）具有潜在抑制作用的化合物，其式为 其中 R1 和 R2 是氢或低级烷基； R3 是氢、低级烷基或取代或未取代的苯基； R4、R5 和 Re 是氢、卤素、低级烷基、低级烷氧基、氰基、羧基或硝基；R4 至 R6 中至少有一个基团是氢； R7 至 R11 为氢、卤素、氰基、低级烷基、三氟甲基、低级烷氧基、羟基、低级酰基、低级烷氧羰基、N,N,-低级烷基-氨基羰基或 N,N-低级亚烷基-氨基羰基；此外，R8 至 R10 还可以是羧基；R7 至 R11 中至少有两个基团始终为氢；以及 -A-是-CO-、-CH2-CO-、-CH=CH-、-CH=CH-CO-或其中一个氢原子被一个低级烷基取代的相应基团。 本发明还包括 R1 为氢的化合物的内酯，以及至少含有一个羧基的化合物的盐。
• Iron chelate composition
  申请人：PHOSYN PLC

  公开号：EP0334630A1

  公开（公告）日：1989-09-27

  The composition contains iron EDDHA and for iron EDDHMA in an agriculturally-acceptable organic solvent, preferably ethylene glycol. The composition is used in treating iron deficiency in soils and can have an iron content of up to 40 or 50 g dm⁻³. The composition may also contain considerable amounts of water yet still to be stable at room temperature, the aqueous composition having a significantly reduced viscosity relative to the water-free composition. The iron chelate need not be dry when incorporated into the composition. It may also be synthesised in situ in the solvent of the composition.

  该组合物含有 EDDHA 铁和 EDDHMA 铁，溶于农业上可接受的有机溶剂，最好是乙二醇。该组合物用于治疗土壤中的缺铁症，铁含量可高达 40 或 50 克 dm-³。该组合物还可以含有大量的水，但在室温下仍然稳定，水性组合物的粘度相对于不含水的组合物明显降低。铁螯合物在加入组合物时不一定是干燥的。它也可以在组合物的溶剂中就地合成。
• ARYLALKANOIC ACID DERIVATIVE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1829863A1

  公开（公告）日：2007-09-05

  A compound represented by the formula (I): wherein Ar is an optionally substituted aromatic ring; Xa, Xc, Ya, Yc, Z1 and Z2 are each a bond, O, S, -CO-, -CS-, - CR3 (OR4) -, -NR5-, -SO-, -SO2-, -CONR6- or -NR6CO- (wherein R3, R4, R5 and R6 are as defined in the specification); Xb and Yb are each a bond or a divalent hydrocarbon group having 1 to 20 carbon atoms; R1 is an optionally substituted hydrocarbon group; ring A is an optionally further substituted aromatic ring, provided that the ring should not be benzimidazole; n is an integer of 1 to 8; ring B is an optionally further substituted aromatic ring, provided that the ring should not be oxazole; W is a divalent saturated hydrocarbon group having 1 to 20 carbon atoms; and R2 is -OR8 or -NR9R10 (wherein R8, R9 and R10 are as defined in the specification) or a salt thereof, is useful as an agent for the prophylaxis or treatment of diabetes and the like.

  式 (I) 所代表的化合物： 其中 Ar 是任选取代的芳香环； Xa、Xc、Ya、Yc、Z1 和 Z2 各自是键、O、S、-CO-、-CS-、-CR3 (OR4)-、-NR5-、-SO-、-SO2-、-CONR6- 或-NR6CO-（其中 R3、R4、R5 和 R6 如说明书中所定义）； Xb 和 Yb 分别为键或具有 1 至 20 个碳原子的二价烃基； R1 是任选取代的烃基； 环 A 是任选进一步取代的芳香环，但该环不能是苯并咪唑； n 是 1 至 8 的整数； 环 B 是任选被进一步取代的芳香环，条件是该环不能是噁唑； W 是具有 1 至 20 个碳原子的二价饱和烃基；以及 R2 是-OR8 或-NR9R10（其中 R8、R9 和 R10 如说明书中所定义） 或其盐、 可用作预防或治疗糖尿病等疾病的药物。