4-甲基六氢苯酐 | 19438-60-9

• 物质功能分类: 化学试剂 - 有机试剂 - 羧酸酐
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异苯并呋喃
• 中文名称: 4-甲基六氢苯酐
• 中文别名: 氢化-4-甲苯酐；4-甲基-1,2-环己二羧酸酐；4-甲基环己烷-1,2-二羧酸酐；六氢-4-甲基邻苯二甲酸酐
• 英文名称: 4-methyl-hexahydrophthalic anhydride
• 英文别名: 4-methyl-cyclohexane-1,2-dicarboxylic acid anhydride；4-MHHPA；Hexahydro-4-methylphthalic anhydride；5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
• CAS: 19438-60-9
• 化学式: C₉H₁₂O₃
• mdl: MFCD00005927
• 分子量: 168.192
• InChiKey: FKBMTBAXDISZGN-UHFFFAOYSA-N

物化性质

• 熔点：
  -29°C
• 沸点：
  120°C (1 mmHg)
• 密度：
  1.162 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• LogP：
  -3.95 at 20℃
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

毒理性

• 暴露途径

该物质可以通过吸入其气溶胶被吸收进入人体。

The substance can be absorbed into the body by inhalation of its aerosol.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 吸入症状

咳嗽。喉咙痛。喘息。呼吸困难。

Cough. Sore throat. Wheezing. Shortness of breath.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 皮肤症状

红肿。灼热感。

Redness. Burning sensation.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 眼睛症状

红肿。疼痛。视力模糊。

Redness. Pain. Blurred vision.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 摄入症状

燃烧的感觉。

Burning sensation.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xn
• 安全说明：
  S22,S24,S26,S37/39
• 危险类别码：
  R42/43,R41
• WGK Germany：
  1
• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  4-甲基六氢苯酐 在 Lindlar's catalyst 水 、 sodium azide 、 硫酸 、 氢气 作用下， 生成 4-methyl-cis-cyclohexane-1,2-diamine
  参考文献：
  名称：

  Synthesis, crystal structure and cytotoxicity of new oxaliplatin analogues indicating that improvement of anticancer activity is still possible

  摘要：

  Oxaliplatin, (trans-R,R-cyclohexane-1,2-diamine)oxalatoplatinum(II), has recently been approved for combination chemotherapy of metastatic colorectal cancer. Oxaliplatin is significantly more active than its trans-S,S isomer and the mixture of both enantiomers. New oxaliplatin analogues, (SP-4-3)-(4-methyl-trans-cyclohexane-1,2-diamine)oxalatoplatinum(II) and (SP-4-3)-(4-ethyl-trans-cyclohexane1,2-diamine)oxalatoplatinum(II), have been synthesized, and their cytotoxicity has been tested in comparison to oxaliplatin, its corresponding trans-S,S isomer, and the mixture of both enantiomers. In comparison to oxaliplatin, even the trans-R,R/trans-S,S mixture of the 4-methyl and 4-ethyl substituted oxaliplatin analogues have shown an equivalent cytotoxicity in ovarian cancer cells (CH1) and superior antiproliferative properties in colon cancer cells (SW480) in the case of a predominantly equatorial position of the substituent at position 4 of the trans-cyclohexane-1,2-diamine ligand, whereas an axial substitution results in decreased cytotoxic potency. (C) 2004 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.04.003
• 作为产物：
  描述：

  甲基四氢苯酐 生成 4-甲基六氢苯酐
  参考文献：
  名称：

  LEZDIN, S. YU.;SIBAROV, D. A.;DOKUCHAEVA, T. G., ISSLED. V OBL. XIMII I TEXNOL. PRODUKTOV PERERAB. GORYUCH. ISKOPAEMYX, L.+

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-甲基六氢邻苯二甲酸酐 、 4-甲基六氢苯酐 、 甲基丙烯酸羟乙酯 、 在 4-二甲氨基吡啶 4-甲基六氢苯酐 作用下， 反应 5.0h， 以to give 4-methyl-(2-methacryloyloxyethyl)hexahydrophthalic acid intermediate as a colorless viscous liquid的产率得到4-Methyl-(2-methacryloyloxyethyl)hexahydrophthalic acid
  参考文献：
  名称：

  Polymerizable isocyanurate monomers and dental compositions

  摘要：

  描述了可聚合的异氰酸酯单体和牙科组合物。描述了一种可硬化的牙科组合物，其包括至少一种在大约25°C下稳定液态的异氰酸酯单体。异氰酸酯单体包括至少一个二价连接基与三价异氰尿酸环的氮原子键合，其中二价连接基包括从酯，硫酯，醚或硫醚中选择的基团，以及这些基团和末端乙烯基未饱和聚合基团的组合。

  公开号：

  US09237990B2

文献信息

• [EN] ANTIMICROBIAL ORGANOSILANES<br/>[FR] ORGANOSILANES ANTIMICROBIENS
  申请人：TOPIKOS PHARMACEUTICALS INC

  公开号：WO2021077119A1

  公开（公告）日：2021-04-22

  Organosilicon quaternary ammonium compounds, their formulations, including powdered and solid formulations, and methods of use to treat infections in humans and animals.

  有机硅季铵化合物，它们的配方，包括粉末和固体配方，以及用于治疗人类和动物感染的方法。
• Efficient synthesis of 19–31 membered macrocyclic tetralactones via ring closing metathesis in ionic liquids
  作者：Sengodagounder Muthusamy、Datschnamoorthy Azhagan

  DOI：10.1016/j.tet.2010.08.019

  日期：2010.10

  The ring closing metathesis reaction in the presence of Grubbs catalyst was demonstrated using several ionic liquids to synthesize a range of macrocyclic tetralactones having ring size of 19 to 31 membered with different spacers. The ionic liquid [mmim][PF6] was found to be an excellent solvent and the recovery of the catalyst was demonstrated. X-ray analysis of a representative macrocyclic tetralactone

  使用几种离子液体证明了在Grubbs催化剂存在下的闭环易位反应，合成了一系列具有不同间隔基的环尺寸为19-31的大环四内酯。发现离子液体[mmim] [PF 6 ]是极好的溶剂，并且证明了催化剂的回收。还报道了代表性的大环四内酯的X射线分析。
• FLAME RETARDANT COMPOUND, METHOD OF PREPARING THE SAME AND USE THEREOF
  申请人：Elite Electronic Material (Zhongshan) Co., Ltd.

  公开号：US20190085150A1

  公开（公告）日：2019-03-21

  Disclosed is a phosphorus-containing compound capable of serving as a flame retardant to be used in conjunction with other ingredients to make resin compositions, useful for fabricating such as a prepreg, a resin film, a resin film with copper foil, a laminate or a printed circuit board, having improved one or more properties including glass transition temperature, coefficient of thermal expansion, thermal resistance, flame retardancy, dielectric constant, and dissipation factor. In addition, a method of preparing the phosphorus-containing compound and a resin composition comprising the phosphorus-containing compound are also disclosed.

  本发明揭示了一种含磷化合物，可作为阻燃剂与其他成分一起使用，制备树脂组合物，用于制备预浸料、树脂薄膜、覆铜箔的树脂薄膜、层压板或印刷电路板等，具有改善了玻璃转变温度、热膨胀系数、热阻、阻燃性、介电常数和介质损耗因子等一个或多个性能。此外，还揭示了一种制备含磷化合物的方法以及包含该含磷化合物的树脂组合物。
• EPOXYSILICONE CONDENSATE, CURABLE COMPOSITION COMPRISING CONDENSATE, AND CURED PRODUCT THEREOF
  申请人：Hara Masanao

  公开号：US20130137795A1

  公开（公告）日：2013-05-30

  There is provided an epoxy group-containing silicone condensate that yields cured products with excellent transparency, thermal resistance and gas barrier properties. An epoxysilicone condensate which is the product of hydrolytic condensation of an epoxy group-containing alkoxysilane compound represented by formula (1): and an alkoxysilane compound represented by formula (2): Si(OR 12 ) m R 13 4-m (2) wherein when the number of moles of the epoxy group-containing alkoxysilane compound (1) is x and the number of moles of the alkoxysilane compound (2) is y, 0.2≦my/nx≦0.7, a curable composition comprising the condensate, and a cured product of the composition.

  提供一种含环氧基硅烷缩合物，其产物具有优异的透明性、耐热性和气体阻隔性能的环氧基硅烷缩合物。一种环氧硅烷缩合物，是由式（1）所代表的含环氧基硅烷化合物的水解缩合产物：和式（2）所代表的硅烷化合物：Si（OR12）mR134-m（2）其中当含环氧基硅烷化合物（1）的摩尔数为x，硅烷化合物（2）的摩尔数为y时，0.2≦my/nx≦0.7，包括该缩合物的可固化组合物，以及该组合物的固化产物。
• SILANE-BASED COMPOUNDS AND PHOTOSENSITIVE RESIN COMPOSITION COMPRISING THE SAME
  申请人：CHO Changho

  公开号：US20130034814A1

  公开（公告）日：2013-02-07

  The present application relates to a new silane-based compound, a photosensitive resin composition including the same, and a photosensitive material including the same. The photosensitive resin composition including the silane-based compound according to the exemplary embodiment of the present application increases adhesion strength to a substrate, such that a developing property is excellent and there are no surface stains or defects during a subsequent process. Accordingly, a photosensitive material, a color filter and the like having excellent quality may be manufactured by using the photosensitive resin composition according to the exemplary embodiment of the present application.

  本申请涉及一种基于硅烷的新化合物，包括该化合物的感光树脂组合物，以及包括该化合物的感光材料。根据本申请示例实施方式的含硅烷基化合物的感光树脂组合物增加了与基材的粘附强度，使得显影性能优良，在随后的过程中没有表面污渍或缺陷。因此，通过使用根据本申请示例实施方式的感光树脂组合物可以制造出具有优良质量的感光材料、彩色滤光片等。

表征谱图