(R)-(3-三氟甲基)扁桃酸 | 51359-73-0

• 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: (R)-(3-三氟甲基)扁桃酸
• 英文名称: (R)-(-)-2-hydroxy-2-(3-(trifluoromethyl)phenyl)acetic acid
• 英文别名: 3-Trifluormethyl-(R)-(-)-mandelsaeure；(R)-(3-trifluoromethyl)mandelic acid；(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetic acid
• CAS: 51359-73-0
• 化学式: C₉H₇F₃O₃
• 分子量: 220.148
• InChiKey: WECBNRQPNXNRSJ-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 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：
  6

反应信息

• 作为反应物：
  描述：

  methyl 4-[4-[(2R)-2-aminopropyl]phenoxy]butanoate;hydrochloride 、 (R)-(3-三氟甲基)扁桃酸 、 N,N'-二环己基碳二亚胺 、 1-羟基苯并三唑 生成 methyl 4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]phenoxy]butanoate
  参考文献：
  名称：

  DUCKWORTH, D. M.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-三氟甲基扁桃酸 生成 (R)-(3-三氟甲基)扁桃酸
  参考文献：
  名称：

  半合成头孢菌素。7-mandelamido-3-cephem-4-羧酸的合成及其构效关系。

  摘要：

  DOI：

  10.1021/jm00247a008

文献信息

• [EN] PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRIMIDIN-4 (3H)-ONE UTILISÉS EN TANT QU'ANTAGONISTES DE TRPV4
  申请人：RAQUALIA PHARMA INC

  公开号：WO2021221169A1

  公开（公告）日：2021-11-04

  This invention relates to pyrimidin-4(3H)-one derivatives that act as modulators of the TRPV4 receptor. The present invention also relates to processes for the preparation of novel pyrimidin-4(3H)-one derivatives and to their use in the treatment of a wide range of diseases, syndromes, and disorders, in particular for the treatment of inflammatory, pain, and urological diseases or disorders.

  这项发明涉及作为TRPV4受体调节剂的嘧啶-4(3H)-酮衍生物。本发明还涉及新型嘧啶-4(3H)-酮衍生物的制备方法，以及它们在治疗各种疾病、综合症和紊乱中的应用，特别是用于治疗炎症、疼痛和泌尿系统疾病或紊乱。
• Asymmetric C1 Extension of Aldehydes through Biocatalytic Cascades for Stereodivergent Synthesis of Mandelic Acids
  作者：Yanqiong Liu、Zunyun Fu、Haihong Dong、Jingxuan Zhang、Yingle Mao、Mingyue Zheng、Cangsong Liao

  DOI：10.1002/anie.202300906

  日期：——

  dehydratase (LTD) and 4-hydroxymandelate synthase (HmaS) were developed for cyanide-free asymmetric C1-extension. Engineering of the central enzyme, HmaS, enabled the stereodivergent synthesis of mandelic acids from glycine and aromatic aldehydes.

  由 L-苏氨酸醛缩酶 (LTA)、L-苏氨酸脱水酶 (LTD) 和 4-羟基扁桃酸合酶 (HmaS) 组成的生物催化级联被开发用于无氰化物不对称 C 1延伸。中心酶 HmaS 的工程化使得能够从甘氨酸和芳香醛中立体合成扁桃酸。
• Secondary amines
  申请人：BEECHAM GROUP PLC

  公开号：EP0052963A1

  公开（公告）日：1982-06-02

  A compound of formula (I). or a salt thereof; wherein R1 is hydrogen, methyl or ethyl; R2 is hydrogen, methyl or ethyl; R3 is hydrogen, fluorine, chlorine, bromine or trifluoromethyl; each of R4 and R5 is hydrogen, fluorine, chlorine, bromine, C1-6 alkyl or C1-6 alkoxy; n is 1 or 2; and X is C1-12 straight or branched alkylene, and salts thereof, are anti-obesity, hypoglycaemic, anti-inflammatory and platelet aggregation inhibiting agents.

  一种式(I)化合物 或其盐，其中 R1 为氢、甲基或乙基；R2 为氢、甲基或乙基；R3 为氢、氟、氯、溴或三氟甲基；R4 和 R5 各为氢、氟、氯、溴、C1-6 烷基或 C1-6 烷氧基；n 为 1 或 2；X 为 C1-12 直链或支链亚烷基，及其盐是抗肥胖、降血糖、抗炎和血小板聚集抑制剂。
• Arylethanol amine derivatives, their preparation and use in pharmaceutical compositions
  申请人：BEECHAM GROUP PLC

  公开号：EP0066351A1

  公开（公告）日：1982-12-08

  Compounds of formula (II); or a salt thereof; wherein R' is hydrogen or methyl: R2 is hydrogen or methyl; R3 is hydrogen, C1-12 C1-12 cycloalkyl, or benzyl optionally substituted with C1-6 alkyl, C1-6 alkoxy, or halogen, n is 1 or 2; and A is hydrogen, halogen, hydroxyl, C1-6 alkyl or C1-6 alkoxy; are useful in treating obesity, diabetes, or inflammation, or inhibiting platelet aggregation.

  式（II）化合物或其盐，其中 R' 是氢或甲基：R2 是氢或甲基；R3 是氢、C1-12 C1-12 环烷基或任选被 C1-6 烷基、C1-6 烷氧基或卤素取代的苄基，n 是 1 或 2；以及 A 是氢、卤素、羟基、C1-6 烷基或 C1-6 烷氧基；这些化合物可用于治疗肥胖症、糖尿病或炎症，或抑制血小板聚集。
• ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE
  申请人：Mitsubishi Rayon Co., Ltd.

  公开号：EP1236714A1

  公开（公告）日：2002-09-04

  There are provided an acetalsulfonate derivative useful as an intermediate for medicines and agricultural chemicals, a process for industrially producing the derivative, and a process for industrially producing a styrene oxide derivative from the acetalsulfonate derivative or from a mandelic acid derivative. A process for producing an acetalsulfonate derivative which comprises a first step of esterifying a mandelic acid derivative to form a mandelic ester derivative, a second step of protecting the mandelic ester derivative by an acetal to form an acetal derivative, a third step of reducing the acetal derivative to form an ethanediol derivative and a fourth step of reacting the ethanediol derivative with a sulfonyl chloride derivative. A process for producing a styrene oxide derivative which comprises a deprotecting step of deacetalizing the acetalsulfonate derivative and a step of epoxidizing the sulfonate derivative obtained in the deprotecting step with the aid of a base catalyst.

  本发明提供了一种可用作医药和农用化学品中间体的乙醛磺酸衍生物、一种工业化生产该衍生物的工艺，以及一种用乙醛磺酸衍生物或扁桃酸衍生物工业化生产氧化苯乙烯衍生物的工艺。 一种生产乙醛磺酸衍生物的工艺，包括第一步酯化扁桃酸衍生物以形成扁桃酸酯衍生物，第二步用缩醛保护扁桃酸酯衍生物以形成缩醛衍生物，第三步还原缩醛衍生物以形成乙二醇衍生物，第四步使乙二醇衍生物与磺酰氯衍生物反应。一种生产氧化苯乙烯衍生物的工艺，该工艺包括使乙醛磺酸衍生物脱乙醛的脱保护步骤和在碱催化剂的帮助下使脱保护步骤中得到的磺酸衍生物环氧化的步骤。