N,2-二甲基苯胺盐酸盐 | 10541-29-4

• 物质功能分类: 有机原料 - 氨基化合物
• 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: N,2-二甲基苯胺盐酸盐
• 英文名称: N,2-dimethylaniline hydrochloride
• 英文别名: N,2-dimethylaniline;hydron;chloride
• CAS: 10541-29-4
• 化学式: C₈H₁₁N*ClH
• 分子量: 157.643
• InChiKey: UNLGXHLMMSXFBP-UHFFFAOYSA-N

物化性质

• 熔点：
  212-213 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.46
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2921430090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N,2-Dimethylaniline, HCl
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: N,2-Dimethylaniline, HCl
CAS number: 10541-29-4

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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: C8H12ClN
Molecular weight: 157.6

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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, nitrogen oxides, 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：

  N,2-二甲基苯胺盐酸盐 在 盐酸 、 硫酸 、 水 、 羟胺 、 sodium sulfate 作用下， 生成 1,7-二甲基吲哚-2,3-二酮
  参考文献：
  名称：

  Mangini; Passerini, Gazzetta Chimica Italiana, 1955, vol. 85, p. 840,841

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(2-甲基苯基)氨基甲酸甲酯 在 二丁基镁 、 频那醇硼烷 、 盐酸 作用下， 以 正庚烷 、 水 、 乙酸乙酯 为溶剂， 反应 24.25h， 以71%的产率得到N,2-二甲基苯胺盐酸盐
  参考文献：
  名称：

  胺的镁的N-甲基化和三氘甲基化，通过镁催化的环状和线性氨基甲酸酯的还原。

  摘要：

  提出了将氨基甲酸酯新还原为N-甲基胺的方法。镁催化的还原反应使包括N- Boc保护的胺在内的环状和线性氨基甲酸酯转化为相应的N-甲基胺和氨基醇，由于它们在许多生物活性分子中的存在，它们引起了人们的极大兴趣。此外，该还原可以扩展到N-三苯甲基亚甲基标记的胺的形成。

  DOI：

  10.1021/acs.orglett.0c00988

文献信息

• N-Monomethylation of amines using paraformaldehyde and H₂
  作者：Hongli Wang、Yongji Huang、Xingchao Dai、Feng Shi

  DOI：10.1039/c7cc02314f

  日期：——

  N-monomethylation of amines is an important topic in fine chemical synthesis. Herein, for the first time, we described a selective N-monomethylation reaction of amines with paraformaldehyde and H2 in the presence of a CuAlOx catalyst. A variety of amines, including primary aromatic amines, benzylamine and cyclohexylamine, as well as secondary amines, have been shown to be compatible with this reaction.

  胺的选择性N-单甲基化是精细化学合成中的重要课题。在此，我们首次描述了在CuAlO x催化剂存在下胺与多聚甲醛和H 2的选择性N-单甲基化反应。已经显示出多种胺，包括伯芳族胺，苄基胺和环己胺，以及仲胺与该反应相容。
• [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016172424A1

  公开（公告）日：2016-10-27

  Compounds of Formula I, including pharmaceutically acceptable salts thereof, and compositions and methods for treating human immunodeficiency virus (HIV) infection are set forth: (I)

  公式I的化合物，包括其药用可接受的盐，以及用于治疗人类免疫缺陷病毒（HIV）感染的组合物和方法被描述如下：（I）
• <i>N</i>-Monomethylation of Aromatic Amines with Methanol via PN^HP-Pincer Ru Catalysts
  作者：Osamu Ogata、Hideki Nara、Mitsuhiko Fujiwhara、Kazuhiko Matsumura、Yoshihito Kayaki

  DOI：10.1021/acs.orglett.8b01449

  日期：2018.7.6

  methanol for the selective methylation of aromatic amines with RuHCl(CO)(PNHP) (PNHP = bis(2-diphenylphosphinoethyl)amine) is reported. Various aromatic amines were transformed into their corresponding monomethylated secondary amines in high yields at 150 °C with a very low catalyst loading (0.02–0.1 mol %) in the presence of KOtBu (20–60 mol %). The catalyst precursor, RuHCl(CO)(PNHP), was converted

  据报道，使用甲醇将芳香胺与RuHCl（CO）（PN H P）（PN H P =双（2-二苯基膦基乙基）胺）选择性甲基化。在KO t Bu（20-60 mol％）存在的情况下，各种芳香胺在150°C下以极低的催化剂负载量（0.02-0.1 mol％）以高收率转化成它们相应的单甲基化仲胺。将催化剂前体RuHCl（CO）（PN H P）转化为[RuH（CO）2（PN H P）] +在催化条件下，也可作为高效催化剂。即使在反应条件下（其中CO从甲醇中释放出来），该催化剂的坚固性也有助于其出色的催化活性。
• Palladium-Catalysed Multicomponent Aminocarbonylation of Aryl or Heteroaryl Halides with [Mo(CO)₆] and Aryl- or ­Heteroarylamines Using Conventional Heating
  作者：Agathe Begouin、Maria-João R. P. Queiroz

  DOI：10.1002/ejoc.200900167

  日期：2009.6

  synthesized in short reaction times by palladium-catalysed multicomponent aminocarbonylation of either electron-deficient or electron-rich heteroaryl halides and p-iodoanisole with several arylamines bearing either electron-donating or -withdrawing groups and aminopyridines using [Mo(CO)6] as a solid CO source and conventional heating. Starting from heteroaryl bromides, a palladacycle with tBu3PHBF4

  二（杂）芳基酰胺已通过钯催化的多组分氨基羰基化反应合成缺电子或富电子杂芳基卤化物和对碘苯甲醚与几种带有给电子或吸电子基团的芳胺和氨基吡啶，使用 [Mo (CO)6] 作为固体 CO 源和常规加热。从杂芳基溴化物开始，需要以 tBu3PHBF4 作为配体的钯环以及作为碱的二恶烷中的 DBU 和 125°C 的温度。来自（杂）芳基碘化物、不含配体的 Pd(OAc)2 和 DBU 在 110 °C 下用于二恶烷中。在后一种条件下，我们能够将此反应应用于失活的氨基吡啶以获得相应的二（杂）芳基酰胺。我们已经证明这些反应可以在常规加热（110-125°C）下进行，以在较短的反应时间（1-3 小时）内以中等至高产率产生相应的二（杂）芳基酰胺，而无需兆瓦辐照。2-碘苯甲酸或2-碘苯甲酸甲酯与对茴香胺通过一步羰基化环化反应得到了N-取代的异吲哚啉-1,3-二酮。因此，我们使用常规加热将这种钯催化的氨基羰基化反应的范围与
• Polyethylene composition and process for producing same
  申请人：TOSOH CORPORATION

  公开号：US20040214953A1

  公开（公告）日：2004-10-28

  A polyethylene composition prepared by polymerizing ethylene and an optional olefin with ≧3 carbon atoms in the presence of a macromonomer, is provided. The macromonomer is a vinyl-terminated ethylene polymer prepared by polymerizing ethylene and an optional olefin with ≧3 carbon atoms, and the macromonomer has (A) Mn≧5,000, and Mw/Mn=2-5. The polyethylene composition comprises (C) branched polyethylene prepared by copolymerizing ethylene, the macromonomer and an optional olefin with ≧3 carbon atoms, and the macromonomer. The polyethylene composition has (D) a density of 0.890-0.980 g/cm 3 , (E) Mw=30,000-10,000,000, (F) Mw/Mn=2-30, (G) a long chain branch frequency of 0.01-3 per 1,000 C atoms, and (H) a shrinking factor (g′ value) of 0.1-0.9 as measured by GPC/intrinsic-viscosity. The polyethylene composition can be finely divided particles having (P) a powder bulk density of 0.15-0.50 g/cm 3 .

  本发明提供了一种聚乙烯组合物，其是通过在存在大分子单体的情况下聚合乙烯和可选的具有≥3个碳原子的烯烃制备的。所述大分子单体是通过聚合乙烯和可选的具有≥3个碳原子的烯烃制备的，其具有(A) Mn≥5,000，且Mw/Mn=2-5的乙烯基端的聚合物。所述聚乙烯组合物包括(C)支化聚乙烯，其是通过共聚乙烯、大分子单体和可选的具有≥3个碳原子的烯烃制备的。所述聚乙烯组合物具有(D)密度为0.890-0.980 g/cm3，(E) Mw=30,000-10,000,000，(F) Mw/Mn=2-30，(G) 0.01-3个每1,000个C原子的长链支化频率，以及(H) 通过GPC/内禀粘度测量的收缩因子（g'值）为0.1-0.9。所述聚乙烯组合物可以是具有(P)粉末堆密度为0.15-0.50 g/cm3的细分散粒子。