3,5-Dimethylbenzoylisocyanat | 66244-10-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,5-Dimethylbenzoylisocyanat
• 英文别名: 3,5-dimethylbenzoyl isocyanate
• CAS: 66244-10-8
• 化学式: C₁₀H₉NO₂
• 分子量: 175.187
• InChiKey: PUMHTBSLBWOGMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  46.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-Dimethylbenzoylisocyanat 在 三氟乙酸 作用下， 反应 10.0h， 生成 5-(3,5-dimethylphenyl)-2-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-one
  参考文献：
  名称：

  METAL COMPLEX AND COMPOSITION COMPRISING THE SAME

  摘要：

  A metal complex (1) is useful for producing a light emitting device having excellent external quantum efficiency. M represents Ir; n 1 is 1 or more; n 1 +n 2 is 3; E 1 and E 2 are nitrogen or carbon atoms; Ring L 1 represents an aromatic hetero ring; Ring L 2 represents an aromatic hydrocarbon or an aromatic hetero ring; A 1 -G 1 -A 2 represents an anionic bidentate ligand, and Ring L 1 or Ring L 2 has a group (2). R 3 represents an alkyl group; R 4 to R 8 are each a hydrogen atom or an alkyl group; X represents an arylene group; k 1 represents 0 to 3. When (1) has only one type of (2), (i) is satisfied: (i) Ring L 1 is a monocyclic 5-membered aromatic hetero ring; and at least one Ring L 2 has formula (2) where R 3 is a phenyl group, R 4 is a hydrogen atom, and R 3 and R 4 are combined to form a fluorene ring.

  公开号：

  US20220267360A1
• 作为产物：
  描述：

  草酰氯 、 3,5-二甲基苯甲酰氯 以 二甲基亚砜 为溶剂， 反应 6.0h， 生成 3,5-Dimethylbenzoylisocyanat
  参考文献：
  名称：

  Separating agent for enantiomeric isomers

  摘要：

  本发明提供了一种用于分离对映异构体的分离剂，具有高分离能力。也就是说，本发明提供了一种用于分离对映异构体的分离剂，包括以下作为活性成分的多糖衍生物，该多糖衍生物具有多糖（如纤维素或直链淀粉）的羟基的至少一部分氢原子被以下通式（I）和（II）所表示的原子团之一取代（在式中，R代表取代或未取代的芳香基团，或线性、支链或环状脂肪族基团）。

  公开号：

  US07683167B2

文献信息

• Agent for separating optical isomers
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP2208519A1

  公开（公告）日：2010-07-21

  The present invention provides a separating agent for enantiomeric isomers exhibiting high separation power. That is, the present invention provides a separating agent for enantiomeric isomers including, as an active ingredient, a polysaccharide derivative having at least part of hydrogen atoms of hydroxyl groups of a polysaccharide such as cellulose or amylose substituted by an atomic group represented by the following general formulae (II): (in the formulae, R represents a substituted or unsubstituted aromatic group, or a linear, branched, or cyclic aliphatic group).

  本发明提供了一种具有高分离能力的对映体异构体分离剂。也就是说，本发明提供了一种对映体异构体分离剂，其活性成分包括一种多糖衍生物，该多糖衍生物中纤维素或淀粉等多糖羟基的至少部分氢原子被以下通式（II）所代表的原子团取代： (式中，R 代表取代或未取代的芳香族基团，或直链、支链或环状脂肪族基团）。
• METAL COMPLEX AND COMPOSITION INCLUDING SAID METAL COMPLEX
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP3932927A1

  公开（公告）日：2022-01-05

  To provide a metal complex which is useful for production of a light emitting device excellent in external quantum efficiency. A metal complex represented by the formula (1): [M represents an iridium atom and the like; n1 is an integer of 1 or more; n1+n2 is 3; E1 and E2 are each a nitrogen atom or a carbon atom; Ring L1 represents an aromatic hetero ring; Ring L2 represents an aromatic hydrocarbon ring or an aromatic hetero ring; A1-G1-A2 represents an anionic bidentate ligand. Ring L1 or Ring L2 has a group represented by the formula (2).] [R3 represents an alkyl group or the like; R4 to R8 are each a hydrogen atom, an alkyl group and the like; X represents an arylene group or the like; k1 represents an integer of 0 to 3. When the metal complex represented by the formula (1) has only one type of the group represented by the formula (2), the requirement (i) and the like are satisfied. (i) Ring L1 is a monocyclic 5-membered aromatic hetero ring; and, at least one of Ring L2 has the group represented by the formula (2) in which one of R3 is a phenyl group, R4 is a hydrogen atom, and R3 and R4 are combined to form a fluorene ring.].

  提供一种金属络合物，用于生产外部量子效率极佳的发光器件。 一种由式（1）表示的金属配合物： [M 代表铱原子等；n1 为 1 或 1 以上的整数；n1+n2 为 3；E1 和 E2 各为氮原子或碳原子；环 L1 代表芳香杂环；环 L2 代表芳香烃环或芳香杂环；A1-G1-A2 代表阴离子双齿配体。环 L1 或环 L2 具有由式 (2) 所代表的基团]。 [当式（1）所代表的金属配合物只有一种式（2）所代表的基团时，则满足(i)等要求。 (i) 环 L1 是单环 5 元芳香杂环；且环 L2 中至少有一个具有式 (2) 所代表的基团，其中 R3 之一是苯基，R4 是氢原子，且 R3 和 R4 结合形成芴环]。
• AGENT FOR SEPARATING OPTICAL ISOMERS
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1618949B1

  公开（公告）日：2010-06-16
• US4150158A
  申请人：——

  公开号：US4150158A

  公开（公告）日：1979-04-17
• US7683167B2
  申请人：——

  公开号：US7683167B2

  公开（公告）日：2010-03-23