1-溴-4-(叔丁氧基甲基)苯 | 22807-80-3

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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: 1-溴-4-(叔丁氧基甲基)苯
• 中文别名: 1-溴-4-(叔-丁氧基甲基)苯
• 英文名称: 1-bromo-4-(tert-butoxymethyl)benzene
• 英文别名: tert-butyl p-bromobenzyl ether；1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene
• CAS: 22807-80-3
• 化学式: C₁₁H₁₅BrO
• 分子量: 243.143
• InChiKey: HIYXDGGLSJYYCO-UHFFFAOYSA-N

物化性质

• 熔点：
  47-49 °C
• 沸点：
  261.4±15.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  储存条件：室温、密封、干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-4-(tert-butoxymethyl)benzene
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-Bromo-4-(tert-butoxymethyl)benzene
CAS number: 22807-80-3

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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: C11H15BrO
Molecular weight: 243.1

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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, hydrogen bromide.

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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-溴-4-(叔丁氧基甲基)苯 在 氢氧化钾 、 sodium hydroxide 、 potassium permanganate 、 正丁基锂 、 盐酸羟胺 、 氨 、 三氟乙酸 、 silver(l) oxide 作用下， 以 1,4-二氧六环 、 吡啶 、 乙醚 、 乙醇 、 二氯甲烷 为溶剂， 反应 39.0h， 生成 4-[3-(三氟甲基)-3H-双吖丙啶-3-基]苯甲酸
  参考文献：
  名称：

  Nassal, Michael, Liebigs Annalen der Chemie, 1983, # 9, p. 1510 - 1523

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴苄醇 、 叔丁醇 在 硫酸 、 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到1-溴-4-(叔丁氧基甲基)苯
  参考文献：
  名称：

  Propylene Random Copolymer

  摘要：

  提供的是具有优秀加工性能的丙烯随机共聚物。根据本发明的丙烯随机共聚物可能表现出高刚度和弯曲模量，同时具有低收缩比，因此可被有用地应用于薄壁注塑制品。

  公开号：

  US20200354492A1

文献信息

• HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS
  申请人：SILL Kevin N.

  公开号：US20080274173A1

  公开（公告）日：2008-11-06

  The present invention relates to the field of polymer chemistry and more particularly to multiblock copolymers and micelles comprising the same.

  本发明涉及聚合物化学领域，更具体地说是涉及多嵌段共聚物以及包含该共聚物的胶束。
• A New Generation of “Cholaphanes”:  Steroid-Derived Macrocyclic Hosts with Enhanced Solubility and Controlled Flexibility
  作者：Khadga M. Bhattarai、Anthony P. Davis、Justin J. Perry、Christopher J. Walter、Stephan Menzer、David J. Williams

  DOI：10.1021/jo971272w

  日期：1997.11.1

  such as carbohydrates in nonpolar media. New features are the externally directed alkyl chains, promoting solubility in organic solvents, and (in the case of 3b/c) reduced conformational freedom resulting from truncation of the steroidal side-chain. In particular, modeling shows that the smallest macrocycle 3c possesses very little flexibility, preferring an open conformation which is also revealed in

  大环“胆甾烷” 3a-c由廉价的类固醇胆酸合成。像早期的亲戚一样，它们的特征是带有向内羟基的大量空腔，适用于在非极性介质中结合极性分子，例如碳水化合物。新功能是外部定向的烷基链，提高了在有机溶剂中的溶解度，并且（在3b / c的情况下）由于类固醇侧链的截断而降低了构象自由度。特别地，建模显示最小的大环3c具有非常小的柔性，优选开放构象，其也在其五水合物的X射线晶体结构中揭示。NMR研究表明，所有三个胆cho与CDCl（3）中的辛基β-D-葡萄糖苷形成1：1配合物，K（a）= 600-1560 M（-）（1）。胆甾烷3b / c被证明能够从水溶液中提取甲基β-D-葡萄糖苷到CHCl（3）中。对于3c，也证明了甲基β-D-葡萄糖苷通过氯仿屏障的转运。
• Cosolvent-Promoted O-Benzylation with Silver(I) Oxide: Synthesis of 1′-Benzylated Sucrose Derivatives, Mechanistic Studies, and Scope Investigation
  作者：Lei Wang、Yasuyuki Hashidoko、Makoto Hashimoto

  DOI：10.1021/acs.joc.6b00144

  日期：2016.6.3

  simple, mild, and highly effective, and numerous 1′-benzylated sucrose derivatives were prepared including a photoreactive (trifluoromethyl)phenyldiazirine-based sucrose. The mechanisms of benzylation with primary and secondary benzyl bromides were also elaborated. Furthermore, the application scope with alcohols, glucose, and ribose derivatives was investigated.

  开发了一种助溶剂与Ag 2 O促进的O-苄基化策略。由CH的共溶剂2氯2和Ñ己烷，不仅可以提高碳水化合物反应的溶解性，但也增加了苄基化效率。在开发的方法中大大抑制了副产物的形成。该方法简单，温和且高效，并且制备了包括基于光反应性（三氟甲基）苯基二叠氮基的蔗糖在内的多种1'-苄基蔗糖衍生物。还详细说明了伯和仲苄基溴的苄基化机理。此外，研究了醇，葡萄糖和核糖衍生物的应用范围。
• Silver-Assisted Oxidative Isocyanide Insertion of Ethers: A Direct Approach to β-Carbonyl α-Iminonitriles
  作者：Leiyang Zhao、Bingxin Liu、Qitao Tan、Chang-Hua Ding、Bin Xu

  DOI：10.1021/acs.orglett.9b03590

  日期：2019.11.15

  silver-assisted oxidative coupling of simple ethers with tert-butyl isocyanide was realized in the presence of DDQ. The direct synthesis of high density functional β-carbonyl α-iminonitriles was achieved in a single step with high yields through the synergetic cascade isocyanide insertion into C(sp3)–H bond, where the isocyanide was used as crucial “CN” and “C═N” sources and the tert-butoxyl group acted as the

  在DDQ存在下，实现了简单醚与叔丁基异氰化物的有效银辅助氧化偶联。通过将协同级联异氰酸酯插入C（sp 3）-H键中，异氰酸酯被用作关键的“ CN”和“ C═N”源和叔丁氧基作为羰基源。已经证明了β-羰基α-亚胺的不同反应性。
• β-羰基-(α-氰基亚胺)类化合物及其合成方法
  申请人：上海大学

  公开号：CN110183352A

  公开（公告）日：2019-08-30

  本发明涉及一种β‑羰基‑(α‑氰基亚胺)类化合物及其合成方法，该化合物的结构式为：。其中：R1为氢、甲基、甲氧基、酯基、氟、氯、溴、烯基或炔基（C2～C3）；R2为氢、甲基；R3为氢、甲基。本发明的β‑羰基‑(α‑氰基亚胺)类化合物是一类非常有价值的有机合成中间体，羰基氰基亚胺骨架已显示出多样的反应活性，因此β‑羰基‑(α‑氰基亚胺)类化合物可转化为相应的其他活性化合物。本发明方法使用的原料简单易得，采用叔丁基异腈作为反应的氰基源，在三氟甲烷基磺酸银的促进下有最好的反应活性和底物适应性。反应过程中使用了常规的反应溶剂，操作简单，条件温和，环境友好，产率一般到优秀，在工业生产中有很好的发展前景。