3-chlorobenzoyl 1-methyl-1-propyl carbonate | 334513-52-9

• 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-chlorobenzoyl 1-methyl-1-propyl carbonate
• 英文别名: 3-Chlorobenzoyl 1-methyl-1-propyl carbonate；butan-2-yloxycarbonyl 3-chlorobenzoate
• CAS: 334513-52-9
• 化学式: C₁₂H₁₃ClO₄
• 分子量: 256.686
• InChiKey: QCMOVMWZXPZQBH-UHFFFAOYSA-N

物化性质

• 沸点：
  334.3±44.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  仲丁基氯甲酸酯 、 3-氯苯甲酸 以 水 为溶剂， 以95%的产率得到3-chlorobenzoyl 1-methyl-1-propyl carbonate
  参考文献：
  名称：

  Process for preparing peroxides using mixed anhydrides

  摘要：

  该发明涉及一种制备过氧酸、过氧酯或二酰过氧化物的方法，其特征在于将式R1[C(O)OC(O)OR2]n或[R3C(O)OC(O)O]pR4的混合酐与式R5[OOH]m的过氧化氢在碱存在下接触，其中R1代表一个单价、二价、三价或四价的C1-C19烃基，可选地含有一个或多个杂原子，n为1-4，R2代表一个C1-C20烃基，可选地含有一个或多个杂原子，R3代表一个C1-C19烃基，可选地含有一个或多个杂原子，R4代表一个二价、三价或四价的C1-C20烃基，可选地含有一个或多个杂原子，p为2-4，R5代表氢或一个单价或二价的C3-C18三级烷基或C2-C20酰基，其中该三级烷基或酰基可选地含有一个或多个杂原子，m为1或2，如果R5代表氢，则m为1，前提是如果过氧化氢是α,α′-二过氧基过氧化物，则反应不在惰性两相溶剂体系中进行，该体系包括极性溶剂和非极性溶剂。该发明还涉及通过所述方法获得的羟基过氧酸、羟基过氧酯和羟基二酰过氧化物，以及所述羟基过氧化物的用途。

  公开号：

  US06610880B1

文献信息

• PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES
  申请人：Akzo Nobel N.V.

  公开号：EP1220837A1

  公开（公告）日：2002-07-10
• US6610880B1
  申请人：——

  公开号：US6610880B1

  公开（公告）日：2003-08-26
• [EN] PROCESS FOR PREPARING PEROXIDES USING MIXED ANHYDRIDES<br/>[FR] PROCEDE DE PREPARATION DE PEROXYDES A L'AIDE D'ANHYDRIDES MELANGES
  申请人：AKZO NOBEL NV

  公开号：WO2001027078A1

  公开（公告）日：2001-04-19

  The invention relates to a process for the preparation of a peracid, perester or diacylperoxide and is characterized in that a mixed anhydride of formula: R1[C(O)OC(O)OR2]n or [R3C(O)OC(O)O]¿pR?4 is contacted with a hydroperoxide of formula: R5[OOH]m in the presence of a base, wherein R1 represents a mono-, di-, tri- or tetravalent C¿1?-C19 hydrocarbon group, optionally containing one or more hetero atoms, n is 1-4, R?2¿ represents a C¿1?-C20 hydrocarbon group, optionally containing one or more hetero atoms, R?3¿ represents a C¿1?-C19 hydrocarbon group, optionally containing one or more hetero atoms, R?4¿ represents a di-, tri- or tetravalent C¿1?-C20 hydrocarbon group, optionally containing one or more hetero atoms, p is 2-4, R?5¿ represents hydrogen or a mono- or divalent C¿3?-C18 tertiary alkyl or C2-C20 acyl group, in which the tertiary alkyl or acyl group may optionally contain one or more hetero atoms, m is 1 or 2, and if R?5¿ represents hydrogen, m is 1, provided that if the hydroperoxide is an α,α-dihydroperoxyperoxide, the reaction is not carried out in an inert two-phase solvent system comprising a polar solvent and an polar solvent. The invention also relates to a hydroxyperacid, hydroxyperester, and hydroxydiacylperoxide obtainable by said process and the use of said hydroxyperoxides.
• Process for preparing peroxides using mixed anhydrides
  申请人：Akzo Nobel NV

  公开号：US06610880B1

  公开（公告）日：2003-08-26

  The invention relates to a process for the preparation of a peracid, perester or diacylperoxide and is characterized in that a mixed anhydride of formula R1[C(O)OC(O)OR2]n or [R3C(O)OC(O)O]pR4 is contacted with a hydroperoxide of formula R5[OOH]m in the presence of a base, wherein R1 represents a mono-, di-, tri- or tetravalent C1-C19 hydrocarbon group, optionally containing one or more hetero atoms, n is 1-4, R2 represents a C1-C20 hydrocarbon group, optionally containing one or more hetero atoms, R3 represents a C1-C19 hydrocarbon group, optionally containing one or more hetero atoms, R4 represents a di-, tri- or tetravalent C1-C20 hydrocarbon group, optionally containing one or more hetero atoms, p is 2-4, R5 represents hydrogen or a mono- or divalent C3-C18 tertiary alkyl or C2-C20 acyl group, in which the tertiary alkyl or acyl group may optionally contain one or more hetero atoms, m is 1 or 2, and if R5 represents hydrogen, m is 1, provided that if the hydroperoxide is an &agr;,&agr;′-dihydroperoxyperoxide, the reaction is not carried out in an inert two-phase solvent system comprising a polar solvent and an apolar solvent. The invention also relates to a hydroxyperacid, hydroxyperester, and hydroxydiacylperoxide obtainable by said process and the use of said hydroxyperoxides.

  该发明涉及一种制备过氧酸、过氧酯或二酰过氧化物的方法，其特征在于将式R1[C(O)OC(O)OR2]n或[R3C(O)OC(O)O]pR4的混合酐与式R5[OOH]m的过氧化氢在碱存在下接触，其中R1代表一个单价、二价、三价或四价的C1-C19烃基，可选地含有一个或多个杂原子，n为1-4，R2代表一个C1-C20烃基，可选地含有一个或多个杂原子，R3代表一个C1-C19烃基，可选地含有一个或多个杂原子，R4代表一个二价、三价或四价的C1-C20烃基，可选地含有一个或多个杂原子，p为2-4，R5代表氢或一个单价或二价的C3-C18三级烷基或C2-C20酰基，其中该三级烷基或酰基可选地含有一个或多个杂原子，m为1或2，如果R5代表氢，则m为1，前提是如果过氧化氢是α,α′-二过氧基过氧化物，则反应不在惰性两相溶剂体系中进行，该体系包括极性溶剂和非极性溶剂。该发明还涉及通过所述方法获得的羟基过氧酸、羟基过氧酯和羟基二酰过氧化物，以及所述羟基过氧化物的用途。