（R）-1-[3,5-双（三氟甲基）苯基]-3-[1-（二甲基氨基）-3-甲基丁烷-2-基]硫脲 | 1048692-61-0

• 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）-1-[3,5-双（三氟甲基）苯基]-3-[1-（二甲基氨基）-3-甲基丁烷-2-基]硫脲
• 英文名称: (R)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(1-(dimethylamino)-3-methylbutan-2-yl)thiourea
• 英文别名: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]thiourea
• CAS: 1048692-61-0
• 化学式: C₁₆H₂₁F₆N₃S
• 分子量: 401.4
• InChiKey: KRYYOIQNEMXCQT-ZDUSSCGKSA-N

物化性质

• 沸点：
  349.6±52.0 °C(Predicted)
• 密度：
  1.281±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  59.4
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] ENANTIONSELECTIVE PROCESSES TO INSECTICIDAL 3-ARYL-3-TRIFLUOROMETHYL-SUBSTITUTED PYRROLIDINES<br/>[FR] PROCÉDÉS ÉNANTIOSÉLECTIFS POUR DES INSECTICIDES DE PYRROLIDINES 3-ARYL-3-TRIFLUOROMÉTHYL-SUBSTITUÉES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013050301A1

  公开（公告）日：2013-04-11

  The present invention relates to processes for the enantio-selective preparation of spyrrolidine derivatives useful in the manufacture of pesticidally active compounds, as well as to intermedates in the processes. The processes include those comprising (a-i) reacting a compound of formula (Ia), formula (Ia), wherein P is alkyl, aryl or heteroaryl, each optionally substituted, wherein the heteroaryl is connected at P via a ring carbon atom; R1 is chlorodifluoromethyl or trifluoromethyl; R2 is aryl or heteroaryl, each optionally substituted; with a source of cyanide in the presence a chiral catalyst to give a compound of formula IIa, formula (IIa), wherein P, R1 and R2 are as defined for the compound of formula (Ia); and (a-ii) oxidising the compound of formula IIa with a peroxy acid, or peroxide in the presence of an acid to give a compound of formula (VI), formula (VI), wherein R1 and R2 are as defined for the compound of formula (Ia).

  本发明涉及用于对手性选择性地制备在制造具有杀虫活性化合物中有用的吡咯烷衍生物的过程，以及在这些过程中的中间体。这些过程包括以下步骤：(a-i)将式(Ia)的化合物与氰化物源在手性催化剂存在下反应，其中式(Ia)中，P为烷基、芳基或杂芳基，每个都可以选择性地取代，其中杂芳基通过一个环碳原子连接到P；R1为氯二氟甲基或三氟甲基；R2为芳基或杂芳基，每个都可以选择性地取代，以得到式(IIa)的化合物，其中P、R1和R2如式(Ia)的化合物所定义；(a-ii)将式IIa的化合物与过氧酸或过氧化物在酸存在下氧化，以得到式(VI)的化合物，其中R1和R2如式(Ia)的化合物所定义。
• PROCESSES FOR THE PREPARATION OF PYRROLIDINE INTERMEDIATES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：US20140296527A1

  公开（公告）日：2014-10-02

  The present invention relates to processes for the enantio-selective preparation of spyrrolidine derivatives useful in the manufacture of pesticidally active compounds, as well as to intermediates in the processes. The processes include those comprising (a-i) reacting a compound of formula Ia wherein P is alkyl, aryl or heteroaryl, each optionally substituted, wherein the heteroaryl is connected at P via a ring carbon atom; R 1 is chlorodifluoromethyl or trifluoromethyl; R 2 is aryl or heteroaryl, each optionally substituted; with a source of cyanide in the presence a chiral catalyst to give a compound of formula IIa wherein P, R 1 and R 2 are as defined for the compound of formula Ia; and (a-ii) oxidising the compound of formula IIa with a peroxy acid, or peroxide in the presence of an acid to give a compound of formula VI wherein R 1 and R 2 are as defined for the compound of formula Ia.

  本发明涉及用于手性选择性制备spyrrolidine衍生物的过程，该衍生物在制造杀虫活性化合物方面有用，以及该过程中的中间体。该过程包括以下步骤：(a-i)将式Ia化合物与氰化物源在手性催化剂的存在下反应，其中式Ia化合物中，P为烷基、芳基或杂环芳基，每个可选地被取代，其中杂环芳基通过环碳原子连接到P；R1为氯二氟甲基或三氟甲基；R2为芳基或杂环芳基，每个可选地被取代，以给出式IIa化合物，其中P、R1和R2与式Ia化合物中的定义相同；以及(a-ii)在酸的存在下，将式IIa化合物与过氧酸或过氧化物氧化，以给出式VI化合物，其中R1和R2与式Ia化合物中的定义相同。
• Process and intermediates for the preparation of NEP inhibitors
  申请人：Novartis AG

  公开号：US10385004B2

  公开（公告）日：2019-08-20

  The present invention relates to a new chemical synthesis, intermediates and catalysts useful for the preparation of the neprilysin (NEP) inhibitor sacubitril. It further relates to new intermediate compounds and their use for said new chemical synthesis route.

  本发明涉及一种新的化学合成方法、中间体和催化剂，可用于制备肾酶（NEP）抑制剂sacubitril。本发明还涉及新的中间体化合物及其在所述新化学合成路线中的用途。
• ENANTIONSELECTIVE PROCESSES TO INSECTICIDAL 3-ARYL-3-TRIFLUOROMETHYL-SUBSTITUTED PYRROLIDINES
  申请人：Syngenta Participations AG

  公开号：EP2763963B1

  公开（公告）日：2021-05-26
• PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS
  申请人：Novartis AG

  公开号：US20180022690A1

  公开（公告）日：2018-01-25

  The present invention relates to a new chemical synthesis, intermediates and catalysts useful for the preparation of the neprilysin (NEP) inhibitor sacubitril. It further relates to new intermediate compounds and their use for said new chemical synthesis route.