(2-氨基-1,1-二甲基乙基)二甲基胺 | 76936-44-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (2-氨基-1,1-二甲基乙基)二甲基胺
• 中文别名: N-(2-氨基-1,1-二甲基乙基)-N,N-二甲基胺
• 英文名称: N²,N²-dimethyl-2-methyl-1,2-propanediamine
• 英文别名: N²,N²,2-trimethyl-1,2-propanediamine；N’,N’,2-trimethylpropane-1,2-diamine；(2-amino-1,1-dimethylethyl)dimethylamine；2-dimethylamino-2-methylpropylamine；tetramethylethylenediamine；tetramethylethylendiamine；N-(2-amino-1,1-dimethylethyl)-N,N-dimethylamine；2-N,2-N,2-trimethylpropane-1,2-diamine
• CAS: 76936-44-2
• 化学式: C₆H₁₆N₂
• mdl: MFCD05201592
• 分子量: 116.206
• InChiKey: PKZCRWFNSBIBEW-UHFFFAOYSA-N

物化性质

• 沸点：
  122.9±8.0 °C(Predicted)
• 密度：
  0.838±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2921290000

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-(2-Amino-1,1-dimethylethyl)-n,n-dimethylamine
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-Amino-1,1-dimethylethyl)-n,n-dimethylamine
CAS number: 76936-44-2

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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, refrigerated.
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: C6H16N2
Molecular weight: 116.2

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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.

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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：

  (2-氨基-1,1-二甲基乙基)二甲基胺 、 Ethoxycarbonyl 4-amino-5-chloro-2-methoxybenzoate 以 四氢呋喃 为溶剂， 以33%的产率得到4-amino-5-chloro-N-<2-dimethylamino-2-methylpropyl>-2-methoxybenzamide
  参考文献：
  名称：

  Serotoninergic properties of new conformationally restricted benzamides

  摘要：

  A new series of benzamides derived from metoclopramide have been synthesized, in which the vicinal carbon of the basic nitrogen atom of the ethyl chain is situated on the C-3, C-4, C-5 and C-6 rings. The diamino derivatives were prepared through Strecker's reaction from the corresponding ketones except for the cyclopropyl derivatives where 1-ethoxy-1-trimethylsiloxy cyclopropane was used as the starting material. The benzamides were prepared using the mixed anhydride method. They were tested in binding assays for D-2, 5-HT3 and 5-HT4 receptors. The results show a marked increase in the selectivity and potency of these derivatives for 5-HT3 receptors with regard to metoclopramide (compound 1d: 5-HT3 K-i = 9.03 nM; 5-HT4 K-i > 5000; D-2 K-i > 5000). The influences of steric hindrance and hydrophobic properties on the affinity of benzamide derivatives for 5-HT3 receptors were also emphasized by these data. The X-ray crystal structure of compound 1d was compared with that of the minimal energy conformer of BRL 24682, a reference 5-HT3 receptor antagonist benzamide, determined using the Random Search program. Superimposition of the two structures showed a suitable fit between the pharmacophore groups previously determined to be important for 5-HT3 receptor antagonists. On the other hand, the hydrophobic parts of the basic moieties had different spatial occupancies.

  DOI：

  10.1016/0223-5234(96)89139-2
• 作为产物：
  描述：

  2-Dimethylamino-2-methyl-propanal-oxim 在 镍 氢气 作用下， 以 乙醇 为溶剂， 生成 (2-氨基-1,1-二甲基乙基)二甲基胺
  参考文献：
  名称：

  Ogloblin,K.A.; Samartsev,M.A., Journal of general chemistry of the USSR, 1960, vol. 30, p. 820 - 833

  摘要：

  DOI：
• 作为试剂：
  描述：

  olanzapine 、 氯甲酸氯甲酯 在 正丁基锂 、 (2-氨基-1,1-二甲基乙基)二甲基胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.75h， 以50%的产率得到chloromethyl 2-methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine-10-carboxylate
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING BENZYL ALCOHOL
  [FR] COMPOSITIONS PHARMACEUTIQUES COMPRENANT DE L'ALCOOL BENZYLIQUE

  摘要：

  本发明涉及一种药物组合物，包括苯甲醇和羧酸山梨醇酯的聚氧乙烯衍生物，用于输送抗精神病药物。

  公开号：

  WO2013142205A1

文献信息

• [EN] (4-(([1,2,4]TRIAZOLO[4,3-A]PYRIDINE-6-YL)OXY)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL) UREIDO DERIVATIVES AS ANTI-INFLAMMATORY P38 MAPK INHIBITORS FOR TREATING DISEASES OF THE RESPIRATORY TRACT<br/>[FR] DÉRIVÉS DE (4-(([1,2,4]TRIAZOLO[4,3-A]PYRIDINE-6-YL)OXY)-1,2,3,4-TÉTRAHYDRONAPHTALÉN-1-YL)URÉIDO EN TANT QU'INHIBITEURS DE P38 MAPK ANTI-INFLAMMATOIRES POUR TRAITER DES MALADIES DU TRACTUS RESPIRATOIRE
  申请人：CHIESI FARM SPA

  公开号：WO2018224423A1

  公开（公告）日：2018-12-13

  This invention relates to (4-(([l,2,4]triazolo[4,3-a]pyridine-6-yl) oxy)-1,2,3,4-tetrahydronaphthalen-1-yl)ureido derivatives that are p38 MAPK (mitogen activated protein kinase) inhibitors as antiinflammatory agents for treating diseases of the respiratory tract.

  本发明涉及(4-(([1,2,4]三唑[4,3-a]吡啶-6-基)氧基)-1,2,3,4-四氢萘-1-基)脲衍生物，该衍生物作为抗炎剂用于治疗呼吸道的疾病，是p38 MAPK（丝裂原活化蛋白激酶）的抑制剂。
• [EN] Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection<br/>[FR] NOUVEAUX COMPOSÉS PYRIDO[2,3-B]INDOLE POUR LE TRAITEMENT ET LA PROPHYLAXIE D'UNE INFECTION BACTÉRIENNE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018178041A1

  公开（公告）日：2018-10-04

  The present invention relates to novel compounds of formula (I), wherein R1, R2, R3, R4, R5 and R6 are as described herein, and their pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.

  本发明涉及式(I)的新化合物，其中R1、R2、R3、R4、R5和R6如本文所述，以及它们的药用盐、对映体或二对映体，以及包括这些化合物的组合物和使用这些化合物的方法。
• Optical Resolution and Circular Dichroism Spectra of Mixed-diamine Palladium(II) Complexes with Configurational Chirality
  作者：Kazuhiko Nakayama、Takashi Komorita、Yoichi Shimura

  DOI：10.1246/bcsj.54.1056

  日期：1981.4

  N1diethyl-1,2-propanediamine), were prepared and optically resolved (or separated in the case of the last named ligand) using diacetyl-d-tartaric anhydride as the resolving agent. Their electronic absorption and CD spectra were measured. A definite additivity has been confirmed between the configurational CD caused by the chiral configuration and the vicinal CD due to the asymmetric carbon atom in

  六个方形平面配合物，[PdL(meso-stien)](ClO4)2（meso-stien=meso-1,2-diphenyl-1,2-乙二胺；L=N,N-二乙基乙二胺，N,N-二甲基乙二胺, 2-甲基-1,2-丙二胺, N2,N2-二甲基-2-甲基-1,2-丙二胺, N, N-二甲基-1,3-丙二胺, 和 (2S)-N1,N1diethyl-1, 2-丙二胺），使用二乙酰-d-酒石酸酐作为拆分剂进行光学拆分（或在最后命名的配体的情况下分离）。测量了它们的电子吸收和 CD 光谱。由于 (2S)-N1,N1-二乙基-1,2-丙二胺络合物中的不对称碳原子，手性构型引起的构型 CD 和邻位 CD 之间已证实明确的可加性。
• Cytokine inhibitors
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20040102492A1

  公开（公告）日：2004-05-27

  Disclosed are compounds of formula (I) 1 Where Ar 1 , X, R 3 , R 4 , R 5 and R 6 are defined herein. The compounds of the invention inhibit production of cytokines involved in inflammatory processes and are thus useful for treating diseases and pathological conditions involving inflammation such as chronic inflammatory disease. Also disclosed are processes for preparing these compounds and pharmaceutical compositions comprising these compounds.

  公开的是式(I)的化合物，其中Ar1、X、R3、R4、R5和R6的定义如本文所述。该发明的化合物抑制了与炎症过程有关的细胞因子的产生，因此对于治疗涉及炎症的疾病和病理条件，如慢性炎症性疾病，是有用的。还公开了制备这些化合物的方法和包含这些化合物的药物组合物。
• AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20170295789A1

  公开（公告）日：2017-10-19

  There is provided a noxious arthropod controlling agent containing an amide compound of formula (I): wherein R 1 represents a C1-C8 chain hydrocarbon group optionally having one or more groups selected from Group A, R 2 represents a hydrogen atom or the like, R 3 represents a hydrogen atom or the like, R 5 and R 6 are the same or different, and independently represent a hydrogen atom or the like, Y represents an oxygen atom or the like, m represents 0, 1, 2, 3, 4, 5, 6 or 7, and Q represents a C1-C8 chain hydrocarbon group optionally having one or more atoms or groups selected from Group D.

  提供了一种含有化合物的有害节肢动物控制剂（I）的公式：其中R1代表一个C1-C8链烃基，可选地具有来自A组的一个或多个基团，R2代表氢原子或类似物，R3代表氢原子或类似物，R5和R6相同或不同，独立地代表氢原子或类似物，Y代表氧原子或类似物，m代表0、1、2、3、4、5、6或7，Q代表一个C1-C8链烃基，可选地具有来自D组的一个或多个原子或基团。