1,3-dimethyl-3-(t-butylperoxy)butyl alcohol | 16326-63-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-dimethyl-3-(t-butylperoxy)butyl alcohol
• 英文别名: 2-methyl-2-(tert-butylperoxy)pentan-4-ol；4-tert-butylperoxy-4-methylpentan-2-ol；2-(t-butylperoxy)-2-methyl-4-hydroxypentane；1,3-dimethyl-3-(t-butylperoxy)butanol；2-methyl-2-(t-butylperoxy)-4-pentanol；3-t-butylperoxy-1,3-dimethylbutanol
• CAS: 16326-63-9
• 化学式: C₁₀H₂₂O₃
• 分子量: 190.283
• InChiKey: JNSWFNBIZLIBPH-UHFFFAOYSA-N

物化性质

• 沸点：
  234.3±23.0 °C(Predicted)
• 密度：
  0.931±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-dimethyl-3-(t-butylperoxy)butyl alcohol 在 sodium acetate 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 4-甲基-4-[(2-甲基-2-丙基)过氧]-2-戊酮
  参考文献：
  名称：

  Synthesis of 4-tert-butylperoxy-4-methylpentan-2-one and 3-tert-butylperoxy-3-methylbutanoic acid

  摘要：

  Alkylation of tert-butyl hydroperoxide with 1,3-diols gave the corresponding hydroxy-containing ditertiary peroxides which were oxidized with pyridinium chlorochromate to carbonyl-containing peroxides. 3-tert-Butylperoxy-3-methylbutanal was oxidized with oxygen at room temperature to obtain 3-tert-butylperoxy-3-methylbutanoic acid.

  DOI：

  10.1134/s1070428013090042
• 作为产物：
  描述：

  4-甲基-4-[(2-甲基-2-丙基)过氧]-2-戊酮 在 钌 sodium hydroxide 作用下， 以 正戊烷 为溶剂， 以28.7%的产率得到1,3-dimethyl-3-(t-butylperoxy)butyl alcohol
  参考文献：
  名称：

  Reduction of carbonyl-containing dialkyl peroxides to hydroxy-containing

  摘要：

  一种制备含羟基的二烷基过氧化物的方法，其化学式为 ##STR1## 通过异相催化还原或均相、非催化化学还原含羰基的二烷基过氧化物的化学式为 ##STR2## 其中，R、R.sub.1、R.sub.2 和 R.sub.3 为脂肪族。本发明还涉及具有式I结构的新型含羟基的二烷基过氧化物化合物。

  公开号：

  US04115455A1

文献信息

• Coupled peroxides
  申请人：Pennwalt Corporation

  公开号：US03965145A1

  公开（公告）日：1976-06-22

  A new class of compounds: R--W--R' were R and R' are identical oxy radicals containing peroxide functions such as dialkyl or diaralkyl peroxide, peroxyketal, peroxyester, or monoperoxycarbonate, and W is a carbonyl group, or carbonyl containing group, or an alkylidene or aralkylidene group, or a phosphorus containing group. Examples Di[1,3-dimethyl-3-(t-butylperoxy)butyl]carbonate; Di[1,3-dimethyl-3-(n-butoxycarbonylperoxy)butyl]carbonate; 2,2-Bis[3,3-di(t-butylperoxy)butoxy]propane; Di[1,3-dimethyl-3-(t-butylperoxy)butyl]ethyl phosphate. They are free radical affording compounds useful in crosslinking of polyolefins and unsaturated polymers, and for the polymerization of vinyl monomers and diolefinic monomers.

  一种新的化合物类别：R-W-R'，其中R和R'是相同的含过氧化物功能的氧自由基，例如二烷基或二芳基过氧化物，过氧乙酰甲酸酯，或单过氧碳酸酯，而W是一个羰基基团，或含羰基基团的基团，或一个烷基亚甲基或芳基亚甲基基团，或一个含磷基团。例如：Di[1,3-二甲基-3-(叔丁基过氧)丁基]碳酸酯；Di[1,3-二甲基-3-(正丁氧羰基过氧)丁基]碳酸酯；2,2-双[3,3-二(叔丁基过氧)丁氧基]丙烷；Di[1,3-二甲基-3-(叔丁基过氧)丁基]乙基磷酸酯。它们是自由基供体化合物，在聚烯烃和不饱和聚合物的交联以及乙烯单体和二烯单体的聚合中有用。
• Compounds having both peroxy and aliphatic azo groups
  申请人：Pennwalt Corporation

  公开号：US04088642A1

  公开（公告）日：1978-05-09

  I. Compounds having independent peroxidic (X) and aliphatic azo groups of the formula [(R-N.dbd.N-R').sub.m -X].sub.n Example: di-t-butylperoxy ester of cis-4,4'-azobis-(4-cyanovaleric acid). Ii. a method of making a block polymer where vinyl monomer is initiated sequentially to produce in one instance: a polymer having azo-carbon linkages present, which is then reacted with vinyl monomer under conditions to rupture the azo-carbon linkages, and in another instance: a polymer having peroxy-carbon linkages present, which is then reacted with vinyl monomer under conditions to rupture the peroxy carbon linkages.

  I. 具有独立过氧化物（X）和脂肪族偶氮基团的化合物，其化学式为[(R-N.dbd.N-R').sub.m -X].sub.n。例如：顺式4,4'-偶氮双(4-氰基戊酸)二-t-丁基过氧酯。 II. 一种制备块状聚合物的方法，其中乙烯单体被顺序引发以在一次反应中产生具有偶氮-碳键的聚合物，然后在条件下与乙烯单体反应以破坏偶氮-碳键，在另一次反应中产生具有过氧-碳键的聚合物，然后在条件下与乙烯单体反应以破坏过氧-碳键。
• [EN] HYDROXYL-FUNCTIONALIZED PEROXIDES, THEIR PREPARATION, AND THEIR USE<br/>[FR] PEROXYDES FONCTIONNALISÉS PAR HYDROXYLE, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：AKZO NOBEL NV

  公开号：WO2010043636A1

  公开（公告）日：2010-04-22

  A hydroxyl-functionalized peroxide having the general formula (I): HO-CH2-R1-O-O-R2-CH2-OH wherein R1 and R2 are the same or different and selected from linear or branched alkyl groups containing 1-16 carbon atoms and aralkyl groups. The invention further relates to a process for preparing said hydroxyl-functionalized peroxide; the use of said peroxide as a crosslinking agent, grafting agent, curing agent, polymer degradation agent or initiator for polymerization reactions; and a process for preparing a hydroxyl-functionalized acrylic resin wherein use is made of said peroxide as an initiator.

  具有通式（I）的羟基化过氧化物：HO-CH2-R1-O-O-R2-CH2-OH，其中R1和R2相同或不同，选择自含有1-16个碳原子的线性或支链烷基和芳基烷基。本发明还涉及制备所述羟基化过氧化物的方法；使用所述过氧化物作为交联剂、接枝剂、固化剂、聚合物降解剂或聚合反应引发剂；以及使用所述过氧化物作为引发剂制备羟基化丙烯酸树脂的方法。
• Nitroxide Compounds for Minimizing Scorch in Crosslinkable Compositions
  申请人：Esseghir Mohamed

  公开号：US20080085973A1

  公开（公告）日：2008-04-10

  Scorch is inhibited during the free-radical crosslinking of a crosslinkable polymer, e.g., an EPDM, by incorporating into the polymer before melt processing and crosslinking a scorch inhibiting amount of a derivative, preferably an ether, ester or urethane derivative, of a TEMPO compound, e.g., 4-hydroxy-tetrahydrocarbylpiperidin-1-oxyl. The scorch inhibitors of this invention perform as well, if not better, than their 4-hydroxy-tetrahydrocarbylpiperidin-1-oxyl counterparts in similar polymer compositions and under similar conditions in terms of scorch inhibition and ultimate degree of crosslinking, but exhibit less volatility and less migration within the polymer composition.

  在可交联聚合物（例如EPDM）的自由基交联过程中，通过在熔融处理和交联之前将TEMPO化合物的衍生物（优选为醚、酯或脲衍生物）的防燃剂添加到聚合物中，可以抑制烧焦。本发明的防燃剂在类似的聚合物组合物和相似条件下，与其4-羟基四氢碳基哌啶-1-氧基衍生物相比，在防燃和最终交联程度方面表现得同样好，甚至更好，但在聚合物组合物中挥发性和迁移性都较小。
• Peroxy compounds
  申请人：Pennwalt Corporation

  公开号：US04180518A1

  公开（公告）日：1979-12-25

  A novel class of compounds having the formula ##STR1## where Z is a substituted carbonate or carbamate, D is an alkynyl or an alkyl, and the R's may be alkyl.

  一种新的化合物类别，其化学式为##STR1## 其中Z是取代碳酸酯或氨基甲酸酯，D是炔基或烷基，R可以是烷基。