二间甲苯基碳酸酯 | 620-52-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 二间甲苯基碳酸酯
• 英文名称: bis(m-cresyl) carbonate
• 英文别名: carbonic acid di-m-tolyl ester；Kohlensaeure-di-m-tolylester；Di-m-tolyl-carbonat；carbonic acid, bis(3-methylphenyl) ester；Bis(3-methylphenyl) carbonate
• CAS: 620-52-0
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: PDYNXWPJDVOHDW-UHFFFAOYSA-N

物化性质

• 熔点：
  50.5 °C
• 沸点：
  346.6±31.0 °C(Predicted)
• 密度：
  1.145±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2920909090
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  二间甲苯基碳酸酯 在 硫酸 、 硝酸 作用下， 生成 4-硝基间甲苯酚
  参考文献：
  名称：

  Faltis et al., Chemische Berichte, 1944, vol. 77/79, p. 686,694

  摘要：

  DOI：
• 作为产物：
  描述：

  三(间甲基苯氧基)甲基叠氮化物 在 sodium-DIPSO 、 水 作用下， 以 乙腈 为溶剂， 生成 二间甲苯基碳酸酯 、 间甲酚
  参考文献：
  名称：

  Hydrolysis of Aryl Orthocarbonates by General Acid Catalyzed and Spontaneous Processes. Characterization of the Water Reaction of (ArO)3COAr' and (ArO)3CN3

  摘要：

  Twenty-four aryl orthocarbonates of formula (Aro)(4)C, (ArO)(2)C(OAr')(2), or (ArO)(3)COAr' have been made by coupling of the copper phenoxides with carbon disulfide, and their hydrolyses have been examined in 60% water-40% acetonitrile (I = 1.00 M, KCl) at 70.0 degrees C. Their hydrolysis by general acid catalyzed and, in the case of (ArO)(3)COAr' when Ar'= p-nitrophenyl and p-cyanophenyl, spontaneous processes yields aryl carbonates. The initial, rate-determining event for both processes is the cleavage of the bond between the central carbon and the least basic phenoxy group: with mixed orthocarbonates of phenols differing in pK by <1 unit, parallel pathways are observed. The spontaneous reactions of (X-C6H4O)(3)C-O-p-C6H4NO2 and (X-C6H4O)(3)C-O-p-C6H4CN where the sigma value of X varies from -0.23 to 0.22 are 4-10 times slower than reactions of p-nitrophenyl tetrahydropyrans reported in the literature and give rise to nonlinear Hammett plots. However, plots against the pK(a) of X-C6H4OH are linear, and the derived beta(reaction center) values indicate substantial buildup of positive charge on the central carbon atom. A similar plot is obtained for the spontaneous reactions of five azides (XC(6)H(4)O)(3)CN3 for which common ion inhibition experiments have been performed. The derived selectivities (M(-1)) of the tris(aryloxy)carbenium ion intermediates between azide ion and water vary from 8.5 X 10(3) to 6.6 X 10(3) as the sigma value of X changes from -0.28 to 0.06. The lifetime of the tris(aryloxy)carbenium ion intermediates in water is therefore likely to be > 10(-6) s. The slow formation and slow hydrolysis of tris(aryloxy)carbenium ions suggests that (in the formation direction) development of conjugative stabilization lags behind carbon-oxygen bond cleavage and (in the hydrolysis direction) precedes carbon-oxygen bond formation. The stereochemistry of tetraaryl orthocarbonates immediately suggests reasons why this should be so.

  DOI：

  10.1021/ja00092a009

文献信息

• Synthesis of Ring-Substituted Phenyl Hydrazinecarboxylates and Study of Their Protonation in Dimethyl Sulfoxide Solutions
  作者：Petr Vlasák、Patrik Pařík、Jiří Klicnar、Jaromír Mindl

  DOI：10.1135/cccc19980793

  日期：——

  The pK_a values of nineteen phenyl hydrazinecarboxylate hydrochlorides R-C₆H₄OCONHNH₂·HCl (R = H, 3- and 4-Cl, 3- and 4-O₂N, 4-Me) and their 1-methyl or 2-methyl derivatives were determined by potentiometric titration with tetrabutylammonium hydroxide in DMSO. IR spectra of the hydrazinecarboxylates and their hydrochlorides revealed that the hydrazinecarboxylate protonation occurs at N². The methods of synthesis of phenyl hydrazinecarboxylate and their N-methyl derivatives were optimized.

  十九种苯基肼羧酸盐盐酸盐R-C6H4OCONHNH2·HCl（R = H，3-和4-Cl，3-和4-O2N，4-Me）及其1-甲基或2-甲基衍生物的pKa值通过在DMSO中与四丁基铵氢氧化物进行电位滴定确定。肼羧酸盐及其盐酸盐的红外光谱表明肼羧酸盐的质子化发生在N2处。苯基肼羧酸盐及其N-甲基衍生物的合成方法已经优化。
• 一种3-甲基-4-异丙基苯酚的制备方法
  申请人：武汉桀升生物科技有限公司

  公开号：CN108046998B

  公开（公告）日：2020-09-25

  本发明公开了一种3‑甲基‑4‑异丙基苯酚的制备方法，属于有机合成技术领域。该方法包括：(1)间甲苯酚与碱在水中于5‑20℃条件下反应得到中间体A；(2)中间体A和三光气在有机溶剂A中，于20‑50℃和碱性条件下反应，反应完后降温，取有机相分离得到中间体B；(3)中间体B、催化剂B和异丙基化试剂在有机溶剂B中，于5‑15℃条件下反应，反应完成后加水，取有机相分离得到中间体C；(4)中间体C在碱性条件下水解得到产品，水解温度为50‑90℃。本发明提供的合成工艺路线简单，原料易得，反应时间短，后处理方便，纯度在97%以上，总收率在70%以上，操作简单，适合工业化生产。
• BISPHENOL COMPOUND AND AROMATIC POLYCARBONATE
  申请人：Honshu Chemical Industry Co., Ltd.

  公开号：US20190047954A1

  公开（公告）日：2019-02-14

  The present invention addresses the problem of providing; a novel bisphenol compound having an indoline skeleton; and a novel aromatic polycarbonate which uses this bisphenol compound as a starting material dihydroxy compound. The above-described problem is able to be solved by an aromatic polycarbonate that contains a repeating unit represented by general formula (2).

  本发明解决了提供具有吲哚骨架的新型双酚化合物和使用该双酚化合物作为起始材料二羟基化合物的新型芳香族聚碳酸酯的问题。上述问题可以通过含有通式（2）所表示的重复单元的芳香族聚碳酸酯来解决。
• OPTICAL FILM
  申请人：Motoyoshi Tetsuya

  公开号：US20110288261A1

  公开（公告）日：2011-11-24

  The object of this invention is to provide an optical film formed of a copolycarbonate having a desired chromatic dispersion and low photoelasticity and having excellent melt processability. The optical film comprises a copolycarbonate composed of 25 to 90 mol % of unit (A) of the following formula, wherein each of R 1 and R 2 is independently a hydrogen atom, a hydrocarbon group having 1 to 10 carbon atoms or a halogen atom, each of R 3 and R 4 is independently a hydrocarbon group having 1 to 10 carbon atoms, each of m and n is independently an integer of 0 to 4, and each of p and q is independently an integer of 0 or more, and 10 to 75 mol % of unit (B) of the following formula, wherein R a is a monocyclic or polycyclic alicyclic hydrocarbon group having 4 to 20 carbon atoms, the alicyclic hydrocarbon group may contain a hetero atom or may have a bridge structure, and q is 0 or 1, the optical film satisfying the following expression (1), R (450)< R (550)< R (650)  (1) wherein R(450), R(550) and R(650) are in-plane retardation values of the film at wavelengths of 450 nm, 550 nm and 650 nm.

  本发明的目的是提供一种光学薄膜，其由具有所需色散和低光弹性以及优异的熔融加工性的共聚碳酸酯形成。该光学薄膜包括由以下式中25至90摩尔％的(A)单元组成的共聚碳酸酯，其中R1和R2各自独立地为氢原子，具有1至10个碳原子的烃基或卤素原子，R3和R4各自独立地为具有1至10个碳原子的烃基，m和n各自独立地为0至4的整数，p和q各自独立地为0或更多的整数，并且由以下式中10至75摩尔％的(B)单元组成，其中Ra是具有4至20个碳原子的单环或多环脂环烃基，脂环烃基可以含有杂原子或具有桥式结构，q为0或1，该光学薄膜满足以下式(1)，R(450)
• High efficiency polymerization catalyst component for use in the polymerization of propylene and higher alpha-olefins
  申请人：EXXON RESEARCH AND ENGINEERING COMPANY

  公开号：EP0149558A2

  公开（公告）日：1985-07-24

  An aliphatic hydrocarbon soluble mixed aluminum hydrocarbyl-Lewis base co-catalyst composition comprising (i) at least two different classes of aluminum hydrocarbyls the first being an aluminum hydrocarbyl halide, the second being an aluminum hydrocarbyl hydride and/or aluminum trialkyl and (ii) at least one Lewis base represented by the formula: wherein each Y can be -OR', -NR2 and R' with the proviso that at least two be -OR' or -NR2, Z is an alkylene radical forming a 5 or 6 membered ring with the carbonyldioxy group or Z is alkyl substituted alkylene group wherein the alkyl radical can have from 1 to 8 carbon atoms, R is an aryl, allyl or alkyl group having from 1 to 20 carbon atoms and R' is an alkyl, cycloalkyl, aryl or aralkyl radical having from 1 to 20 carbon atoms. The co-catalyst is employed with a titanium halide catalyst for the polymerization of olefins to obtain a advantageous balance of catalytic activity and polymer product stereoregularity.

  一种脂族烃溶性混合烃基铝-路易斯碱助催化剂组合物，包括(i)至少两类不同的烃基铝，第一类是烃基卤化铝，第二类是烃基氢化铝和/或三烷基铝，以及(ii)至少一种由式表示的路易斯碱： 其中每个 Y 可以是-OR'、-NR2 和 R'，但至少有两个是-OR'或-NR2，Z 是与羰基二氧基形成 5 或 6 成员环的亚烷基，或者 Z 是烷基取代的亚烷基，其中烷基可以具有 1 至 8 个碳原子，R 是具有 1 至 20 个碳原子的芳基、烯丙基或烷基，R'是具有 1 至 20 个碳原子的烷基、环烷基、芳基或芳烷基。 该助催化剂与卤化钛催化剂一起用于烯烃的聚合，可在催化活性和聚合物产品的立体规整性之间取得有利的平衡。