2-methylbenz-1,3-dioxepane | 67461-23-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-methylbenz-1,3-dioxepane
• 英文别名: 2-methyl-1,3-dioxa-4,5-benzocycloheptene；2-Methyl-1,3-dioxa-5,6-benzocyclohepten；7-Methyl-5h,9h-6,8-dioxa-benzocycloheptene；3-methyl-1,5-dihydro-2,4-benzodioxepine
• CAS: 67461-23-8
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: IHFHZNOYWDNICM-UHFFFAOYSA-N

物化性质

• 沸点：
  258.0±25.0 °C(Predicted)
• 密度：
  1.052±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙醛 、 邻苯二甲醇 生成 2-methylbenz-1,3-dioxepane
  参考文献：
  名称：

  Stereochemistry of seven-membered heterocycles. 2. IR spectra, dipole moments, and inductive effect of the alkyl groups in 2-alkylbenz[e]-1,3-dioxepanes

  摘要：

  DOI：

  10.1007/bf00961748

文献信息

• PHARMACEUTICAL COMPOUNDS FOR USE IN THE THERAPY OF CLOSTRIDIUM DIFFICILE INFECTION
  申请人：ETH Zürich

  公开号：EP3521294A1

  公开（公告）日：2019-08-07

  The invention relates to a compound described by a general formula (15), wherein each X independently is selected from OPO32-, OPSO22-, or OSO3-, with the proviso that not all X are OPO32- and not all X are OSO3-. The invention further relates to mixed polyphosphate/thiophosphate/sulphate derivatives of six-membered cyclic polyols for use in the therapy of infection by Clostridium difficile.

  本发明涉及通式（15）所述的化合物，其中每个 X 独立地选自 OPO32-、OPSO22-或 OSO3-，但并非所有 X 都是 OPO32-，也并非所有 X 都是 OSO3-。 本发明还涉及用于治疗艰难梭菌感染的六元环多元醇混合多聚磷酸盐/硫代磷酸盐/硫酸盐衍生物。
• Substituted polyesters by thiol-ene modification: rapid diversification for therapeutic protein stabilization
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10273333B2

  公开（公告）日：2019-04-30

  Structures and methods of making biodegradable trehalose co-polymers are disclosed. Specifically, biodegradable trehalose co-polymers consist of the general structure R5—[R1R2C—CR3R4]n-[DG]m—R6, wherein R1-R4 are independently selected from hydrogen or a side chain comprising at least one carbon atom, and wherein at least one of R1-R4 is a side chain comprising -L-trehalose, wherein L is a linker molecule that links trehalose to the monomer through at least one of the trehalose hydroxyl groups (—OH), wherein DG is a biodegradable group, and wherein R5 and R6 are end groups.

  本发明公开了可生物降解的三卤糖共聚物的结构和制造方法。具体来说，可生物降解的三卤糖共聚物由一般结构 R5-[R1R2C-CR3R4]n-[DG]m-R6组成，其中 R1-R4 独立地选自氢或包含至少一个碳原子的侧链、其中 R1-R4 中至少有一个是由-L-曲哈糖组成的侧链，其中 L 是连接分子，通过至少一个曲哈糖羟基（-OH）将曲哈糖与单体连接，其中 DG 是可生物降解基团，其中 R5 和 R6 是端基。
• BIODEGRADABLE TREHALOSE GLYCOPOLYMERS
  申请人：The Regents of the University of California

  公开号：EP3180023B1

  公开（公告）日：2020-02-19
• SUBSTITUTED POLYESTERS BY THIOL-ENE MODIFICATION: RAPID DIVERSIFICATION FOR THERAPEUTIC PROTEIN STABILIZATION
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20180112034A1

  公开（公告）日：2018-04-26

  Structures and methods of making biodegradable trehalose co-polymers are disclosed. Specifically, biodegradable trehalose co-polymers consist of the general structure R 5 —[R 1 R 2 C—CR 3 R 4 ] n -[DG] m —R 6 , wherein R 1 -R 4 are independently selected from hydrogen or a side chain comprising at least one carbon atom, and wherein at least one of R 1 -R 4 is a side chain comprising -L-trehalose, wherein L is a linker molecule that links trehalose to the monomer through at least one of the trehalose hydroxyl groups (—OH), wherein DG is a biodegradable group, and wherein R 5 and R 6 are end groups.
• Stereochemistry of seven-membered heterocycles. 2. IR spectra, dipole moments, and inductive effect of the alkyl groups in 2-alkylbenz[e]-1,3-dioxepanes
  作者：B. A. Arbuzov、E. N. Klimovitskii、A. B. Remizov、G. N. Sergeeva

  DOI：10.1007/bf00961748

  日期：1980.2