4-methyl-N-[(1S,2S)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]benzenesulfonamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-methyl-N-[(1S,2S)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]benzenesulfonamide
• 化学式: C₃₁H₃₄N₂O₃S
• 分子量: 514.7
• InChiKey: KBZBFGNKQIJMDQ-CONSDPRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  75.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] IMPROVED PROCESS FOR PREPARING ASTACENE<br/>[FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION D'ASTACÈNE
  申请人：BASF SE

  公开号：WO2018095863A1

  公开（公告）日：2018-05-31

  The invention describes a process for making astacene of formula 1, the exocyclic double bonds thereof having either an E configuration or an E-and/or Z-configuration, wherein astaxanthin of the general formula 2 having asymmetric centers 3 and 3', each of which respectively having an (S)- or (R)-conformation and the exocyclic double bonds of said astaxanthin 2 having either an E- or E- and/or Z configuration, is oxidized in the presence of at least one tertiary alcoholate.

  该发明描述了一种制备式1的astacene的过程，其中其外环双键具有E构型或E和/或Z构型，其中具有不对称中心3和3'的一般式2的astaxanthin，每个中心分别具有(S)-或(R)-构象，所述astaxanthin 2的外环双键具有E或E和/或Z构型，在至少一种三级醇酸盐的存在下被氧化。
• Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols
  申请人：BASF SE

  公开号：US10017464B2

  公开（公告）日：2018-07-10

  The invention relates to a method for preparing a cyclic α-ketoalcohol, particularly a 6-hydroxycyclohexenone from a cyclic α-ketoenol, particularly a 6-hydroxycyclohexadienone, using a reducing agent. This reducing agent is selected from hydrogen gas; a secondary alcohol, formic acid and the salts of formic acid or a mixture of at least two representatives of these compound classes. The invention further comprises the use of an α-ketoenol, in particular a 6-hydroxycyclohexadienone, as intermediate for preparing astaxanthin.

  本发明涉及一种用还原剂从环α-酮烯醇，特别是6-羟基环己烯酮制备环α-酮醇，特别是6-羟基环己二烯酮的方法。还原剂选自氢气、仲醇、甲酸和甲酸盐，或至少两种上述化合物的混合物。本发明还包括使用 α-酮烯醇，特别是 6-羟基环己二烯酮，作为制备虾青素的中间体。
• Method for producing astaxanthin from astacin
  申请人：BASF SE

  公开号：US10017465B2

  公开（公告）日：2018-07-10

  The invention relates to a method for the non-stereoselective and also for the stereoselective synthesis of astaxanthin from astacin. For this purpose, a reducing agent is used selected from the group of hydrogen, a secondary alcohol, formic acid and also the salts of formic acid or from a mixture of at least two representatives of the compound classes stated above. The invention further relates to the use of astacin as starting compound for the synthesis of astaxanthin.

  本发明涉及一种非立体选择性和立体选择性合成虾青素的方法。为此，使用一种还原剂，该还原剂选自氢、仲醇、甲酸和甲酸盐类，或选自上述化合物类别中至少两种代表化合物的混合物。本发明还涉及将虾青素用作合成虾青素的起始化合物。
• Process for preparing astacene
  申请人：BASF SE

  公开号：US10836718B2

  公开（公告）日：2020-11-17

  The invention describes a process for making astacene of formula 1, the exocyclic double bonds thereof having either an E configuration or an E- and/or Z-configuration, wherein astaxanthin of the general formula 2 having asymmetric centers 3 and 3′, each of which respectively having an (S)- or (R)-conformation and the exocyclic double bonds of said astaxanthin 2 having either an E- or E- and/or Z configuration, is oxidized in the presence of at least one tertiary alcoholate.

  本发明描述了一种制造式 1 的虾青素（其外环双键具有 E 构型或 E- 和/或 Z- 构型）的工艺，其中通式 2 的虾青素具有不对称中心 3 和 3′，其中每个不对称中心分别具有 (S)- 或 (R)- 构型，并且所述虾青素 2 的外环双键具有 E- 或 E- 和/或 Z- 构型，在至少一种叔醇酸酯存在下进行氧化。
• VERFAHREN ZUR HERSTELLUNG VON ASTAXANTHIN AUS ASTACIN
  申请人：BASF SE

  公开号：EP3180311B1

  公开（公告）日：2019-04-17