1,1,4,4,5,5,8,8-八甲基-1,2,3,4,5,6,7,8-八氢蒽 | 22306-30-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 1,1,4,4,5,5,8,8-八甲基-1,2,3,4,5,6,7,8-八氢蒽
• 中文别名: 八甲基八氢蒽
• 英文名称: 1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene
• 英文别名: 1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-anthracene；1,1,4,4,5,5,8,8-Octamethyl-1,2,3,4,5,6,7,8-octahydro-anthracen；1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracene
• CAS: 22306-30-5
• 化学式: C₂₂H₃₄
• 分子量: 298.512
• InChiKey: NABKENULMAEYJW-UHFFFAOYSA-N

物化性质

• 熔点：
  218 °C
• 沸点：
  344.7±37.0 °C(Predicted)
• 密度：
  0.886±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2902909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温下应存放在干燥密封的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,1,4,4,5,5,8,8-Octamethyl-2,3,6,7-tetrahydroanthracene
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 1,1,4,4,5,5,8,8-Octamethyl-2,3,6,7-tetrahydroanthracene
CAS number: 22306-30-5

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C22H34
Molecular weight: 298.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,1,4,4,5,5,8,8-八甲基-1,2,3,4,5,6,7,8-八氢蒽 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 tin 、 硫酸 、 palladium 10% on activated carbon 、 氢气 、 硝酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 43.5h， 生成 4-[(1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-9-anthryl)carbamoyl]aniline
  参考文献：
  名称：

  Octahydroanthracene Compound, Preparation Method and Application Thereof

  摘要：

  揭示了具有式(I)和(II)所示结构的八氢蒽烷化合物，以及其制备方法和应用。该八氢蒽烷化合物对肿瘤和神经退行性疾病具有良好的治疗效果。该八氢蒽烷化合物的制备主要通过以苯为起始原料，经过弗里德尔-克拉夫斯反应、硝化、还原、(磺酰-)酰胺形成、还原、脲形成或酰胺形成等步骤进行，从而获得目标化合物。

  公开号：

  US20190071393A1
• 作为产物：
  描述：

  2,5-二甲基-2,5-己二醇 在 盐酸 、 三氯化铝 作用下， 生成 1,1,4,4,5,5,8,8-八甲基-1,2,3,4,5,6,7,8-八氢蒽
  参考文献：
  名称：

  MEMS for Light-Wave Networks

  摘要：

  正如本问题所展示的，新兴的微机电系统（MEMS）领域开始影响几乎所有科学技术领域。MEMS有潜力彻底改变光波系统。诸如光开关、可变衰减器、主动均衡器、加/波分复用器（ADM）、光交叉连接器（OXC）、增益倾斜均衡器、数据发射器等微器件开始在先进的光波系统中找到广泛应用。

  DOI：

  10.1557/mrs2001.73

文献信息

• THE TERTIARYBUTYLBENZENES: I. ALKYLATION OF 1,4-DI-<i>t</i>-BUTYLBENZENE WITH <i>t</i>-BUTYL CHLORIDE
  作者：L. Ross C. Barclay、Eileen E. Betts

  DOI：10.1139/v55-079

  日期：1955.4.1

  The alkylation of P-di-t-butylbenzene with excess t-butyl chloride in the presence of aluminum chloride in the cold produces a new aromatic hydrocarbon, m.p. 218.5–219°. Evidence is given for the presence of an alicyclic nucleus in this hydrocarbon which analyzes for C22H34. The preparation of nitro and amino derivatives from this hydrocarbon is described. The alkylation of benzene under similar conditions

  在冷的氯化铝存在下，对二叔丁基苯与过量的叔丁基氯烷基化产生一种新的芳烃，熔点 218.5-219°。有证据表明该烃中存在脂环族核，用于分析 C22H34。描述了从该烃制备硝基和氨基衍生物。苯在类似条件下烷基化得到一些 1,3,5-三叔丁基苯，并给出了一种由对二叔丁基苯制备这种烃的改进方法。
• Putting aniline radical cations in a bottle
  作者：Senwang Zhang、Wenqing Wang、Shen Liu、Yunxia Sui、ZaiChao Zhang、Gengwen Tan、Qing Sun、Xinping Wang

  DOI：10.1007/s11426-017-9096-7

  日期：2017.11

  Salts containing aniline radical cations have been isolated and characterized by electron paramagnetic resonance (EPR) spectroscopy, UV-Vis absorption spectroscopy and single crystal X-ray diffraction. The EPR spectra and theoretical calculations indicate the unpaired electron is delocalized on phenyl rings and nitrogen atoms. Both radical cations feature a quinoidal geometry with a partially double

  已分离出含有苯胺自由基阳离子的盐，并通过电子顺磁共振（EPR）光谱，UV-Vis吸收光谱和单晶X射线衍射对其进行了表征。EPR光谱和理论计算表明未成对的电子在苯环和氮原子上离域。两个自由基阳离子都具有一个带有部分双C–N键的喹诺酮几何形状，但不同之处在于，由于空间拥挤，一个阳离子中的C–N键与苯基平面共面，而另一个阳离子中的C–N键则偏离了另一个平面。这项工作提供了稳定的苯胺自由基阳离子的第一个明确的例子。
• FRIEDEL–CRAFTS REARRANGEMENTS IN BRANCHED CONDENSED RING SYSTEMS: I OCTAMETHYLOCTAHYDROANTHRACENE
  作者：L. R. C. Barclay、A. H. Gray、C. E. Milligan

  DOI：10.1139/v61-107

  日期：1961.4.1

  Treatment of 1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene (C22H34, I) with aluminum chloride produced a new hydrocarbon (C22H32, II) containing a conjugated olefinic double bond. Hydrocarbon II was proved to be 1,1,5,5,8,8-hexamethyl-3-isopropyl-5,6,7,8-tetrahydrobenzindene by spectral data, by oxidative studies, and by a synthesis of its reduction product, 1,1,5,5,8,8-hexamethyl-3-isopropyl-5

  用氯化铝处理 1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene (C22H34, I) 产生了一种新的烃（ C22H32, II) 含有共轭烯烃双键。通过光谱数据、氧化研究和其还原产物的合成，烃 II 被证明是 1,1,5,5,8,8-六甲基-3-异丙基-5,6,7,8-四氢联苯， 1,1,5,5,8,8-六甲基-3-异丙基-5,6,7,8-四氢联苯胺 (III)。假设苯鎓离子机制可以解释在从 I 形成 II 过程中伴随脱氢发生的 1,2-苯基位移。重排尾气中氢的检测支持了这一机制。可以应用类似的苯鎓离子机理来阐明文献中报道的叔至仲烷基苯异构化的机理。
• Process for production of bicyclic compounds
  申请人：International Flavors & Fragrances Inc.

  公开号：US04123469A1

  公开（公告）日：1978-10-31

  Described is a process for producing bicyclic compounds having the generic structure: ##STR1## wherein R.sub.1 is one of the moieties: ##STR2## and wherein R.sub.2, R.sub.3 and R.sub.4 are the same or different and each represents hydrogen, methyl or ethyl comprising the step of reacting a tricyclic compound having the structure: ##STR3## with a benzene derivative having the structure: ##STR4## according to the reaction: ##STR5## in the presence of an aluminum chloride catalyst.

  描述了一种生产具有通用结构的双环化合物的过程：##STR1## 其中R.sub.1是以下之一：##STR2## 其中R.sub.2，R.sub.3和R.sub.4相同或不同，每个代表氢，甲基或乙基，包括通过以下步骤反应具有结构的三环化合物：##STR3## 与具有以下结构的苯衍生物：##STR4## 根据反应：##STR5## 在氯化铝催化剂的存在下。
• Cyclic condensation product
  申请人：ROHM & HAAS

  公开号：US02198374A1

  公开（公告）日：1940-04-23