4-氯-1,2-二甲氧基苯 | 16766-27-1

• 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: 4-氯-1,2-二甲氧基苯
• 中文别名: 4-氯邻苯二甲醚
• 英文名称: 4-chloro-1,2-dimethoxybenzene
• 英文别名: 4-chloroveratrole；1,2-dimethoxy-4-chlorobenzene
• CAS: 16766-27-1
• 化学式: C₈H₉ClO₂
• mdl: MFCD01741851
• 分子量: 172.611
• InChiKey: RXJCXGJKJZARAW-UHFFFAOYSA-N

物化性质

• 熔点：
  75 °C
• 沸点：
  237-240 °C(Press: 739 Torr)
• 密度：
  1.155±0.06 g/cm3(Predicted)
• 保留指数：
  1307;1300;1301;1307;1318

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：室温、密封、干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-1,2-dimethoxybenzene
Synonyms: 4-Chloroveratrole

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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: 4-Chloro-1,2-dimethoxybenzene
CAS number: 16766-27-1

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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: C8H9ClO2
Molecular weight: 172.6

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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 chloride.

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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：

  4-氯-1,2-二甲氧基苯 在 硫酸氢铵 、 bis(1,5-cyclooctadiene)nickel (0) 、 sodium t-butanolate 作用下， 反应 12.0h， 以89%的产率得到3,4-二甲氧基苯胺
  参考文献：
  名称：

  带有笼状P，N连接位点的亚磷酸三嗪聚合物配体：镍催化的芳基氯和苯酚的胺化反应中的有效配体†

  摘要：

  一种新型的P，N-配体被引入以有​​效地Ni催化芳基氯化物的胺化。氰尿酸（1,3,5-三嗪-2,4,6-三醇）与三氯膦（PCl 3）导致了一种新的多孔材料（TPPM）的生产，该材料包含片状形态的具有亚磷酸酯部分的三嗪环。制备的化合物中的空腔会在材料表面上形成具有适当连接特性的位点，以与金属配合用于催化目的。在这种容易制备且可重复使用的P，N-配体的存在下，镍催化的芳基氯化物和2,4,6-三芳氧基-1,3,5-三嗪（TAT）保护型苯酚的胺化反应得以有效完成。在温和的反应条件下。更重要的是，TPPM在遵循此协议后可重复使用5次，而其活动没有明显减少。

  DOI：

  10.1039/c6ra14367a
• 作为产物：
  描述：

  邻苯二甲醚 在 aluminum oxide 、 sodium chlorite 、 (salen)Mn(III) 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以93%的产率得到4-氯-1,2-二甲氧基苯
  参考文献：
  名称：

  Selective aromatic chlorination of activated arenes with sodium chlorite, (salen)manganese(III) complex, and alumina in dichloromethane

  摘要：

  烷基苯醚与氯化钠在二氯甲烷中，在（salen）锰（III）配合物和预加载少量水的氧化铝存在下，在温和条件下生成了具有异常高对位选择性的单氯化产物。基于NaClO₂的两相体系也可以成功用于对取代苯酚和多甲氧基苯的区域选择性单氯化。关键词：芳香族氯化、烷基芳基醚、氯化钠、（salen）锰（III）配合物、氧化铝。

  DOI：

  10.1139/v97-625

文献信息

• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：GILEAD SCIENCES, INC.

  公开号：US20040121316A1

  公开（公告）日：2004-06-24

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种鉴定含有羧酸酯或磷酸酯基团抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶筛选这类化合物的文库。还提供了与GS-7340酯水解酶相关的组合物和方法。
• Kaolin-assisted Aromatic Chlorination and Bromination
  作者：Masao Hirano、Hiroyuki Monobe、Shigetaka Yakabe、Takashi Morimoto

  DOI：10.1039/a804043e

  日期：——

  Moist kaolin catalyses the regioselective and high-yielding chlorination and bromination of C6H5OR (R=C1–C8 alkyl, But, allyl, cyclohexyl, benzyl) to 4-XC6H4OR (X=Cl and Br, respectively) with NaClO2 and Mn(acac)3 in CH2Cl2 in the absence and presence of NaBr, respectively, under mild and neutral conditions.

  潮湿的高岭土用 NaClO2 和 Mn(acac) 催化 C6H5OR（R=C1-C8 烷基，丁基，烯丙基，环己基，苄基）到 4-XC6H4OR（分别为 X=Cl 和 Br）的区域选择性和高产氯化和溴化在温和和中性条件下，分别在不存在和存在 NaBr 的情况下在 CH2Cl2 中生成 3。
• [EN] SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES DE SPIROPIPÉRIDINE DE RÉCEPTEURS NICOTINIQUES DE L'ACÉTYLCHOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2020223136A1

  公开（公告）日：2020-11-05

  The present disclosure relates to compounds of formula (I) that are useful as modulators of 7α nAChR, compositions comprising such compounds, and the use of such compounds for preventing, treating, or ameliorating disease, particularly disorders of the central nervous system such as cognitive impairments in Alzheimer's disease, Parkinson's disease, and schizophrenia, as well as for L-DOPA induced-dyskinesia and inflammation.

  本公开涉及式(I)的化合物，这些化合物可用作7α nAChR的调节剂，包含这些化合物的组合物，以及利用这些化合物预防、治疗或改善疾病，特别是中枢神经系统疾病，如阿尔茨海默病、帕金森病和精神分裂症，以及L-多巴引起的运动障碍和炎症。
• Facile Synthesis of Chloro-substituted Aromatic Ethers by Use of Benzyltrimethylammonium Tetrachloroiodate
  作者：Shoji Kajigaeshi、Youichi Shinmasu、Shizuo Fujisaki、Takaaki Kakinami

  DOI：10.1246/cl.1989.415

  日期：1989.3

  The reaction of aromatic ethers with a calculated amount of benzyltrimethylammonium tetrachloroiodate in acetic acid (or dichloromethane) under mild conditions gave, selectively, the objective chloro-substituted aromatic ethers in good yields.

  芳香醚与计算量的四氯碘酸苄基三甲基铵在温和条件下反应，选择性地以良好的收率得到目标氯取代的芳香醚。
• High site-selectivity in the chlorination of electron-rich aromatic compounds by -chlorammonium salts
  作者：John R. Lindsay Smith、Linda C. McKeer

  DOI：10.1016/s0040-4039(00)88111-3

  日期：1983.1

  N-Chlorammonium salts are efficient and very site-selective monochlorinating agents for electron-rich aromatic compounds.

  N-氯铵盐对于富含电子的芳族化合物而言是高效且非常选择性的单氯化剂。

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