2-二甲基氨基-2-甲基-丙腈 | 2273-40-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-二甲基氨基-2-甲基-丙腈
• 英文名称: 2-dimethylamino-2-methylpropionitrile
• 英文别名: α-dimethylamino-isobutyronitrile；2-(Dimethylamino)-2-methylpropanenitrile
• CAS: 2273-40-7
• 化学式: C₆H₁₂N₂
• mdl: MFCD10005348
• 分子量: 112.175
• InChiKey: RIDGSEGTBIWFTK-UHFFFAOYSA-N

物化性质

• 沸点：
  57 °C(Press: 25 Torr)
• 密度：
  0.874±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(Dimethylamino)-2-methylpropanenitrile
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: 2-(Dimethylamino)-2-methylpropanenitrile
CAS number: 2273-40-7

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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: C6H12N2
Molecular weight: 112.2

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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：

  2-二甲基氨基-2-甲基-丙腈 在 氢溴酸 、 叔丁基锂 、 溶剂黄146 作用下， 生成 3-[6-[2-(Dimethylamino)-1-imidazol-1-yl-2-methylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanoic acid
  参考文献：
  名称：

  3- [6-（2-二甲基氨基-1-咪唑-1-基-丁基）-萘-2-基氧基] -2，2-二甲基-丙酸作为高效和选择性的视黄酸代谢阻断剂。

  摘要：

  设计并合成了3- [6-（2-二甲基氨基-1-咪唑-1-基-丁基）-萘-2-基氧基] -2,2-二甲基-丙酸和类似物作为强效和选择性CYP26抑制剂，作为视黄酸代谢阻断剂（RAMBAs），在体内具有提高外源性atRA的半衰期的功效。

  DOI：

  10.1016/j.bmcl.2006.02.020
• 作为产物：
  描述：

  二甲胺 、 丙酮氰醇 以 丙酮 为溶剂， 反应 2.0h， 以11.387 g的产率得到2-二甲基氨基-2-甲基-丙腈
  参考文献：
  名称：

  [EN] 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY
  [FR] DÉRIVÉS DE 2-PHÉNYL-3H-IMIDAZO[4,5-B]PYRIDINE UTILISÉS COMME INHIBITEURS DE L'ACTIVITÉ DE LA TYROSINE KINASE DE MAMMIFÈRE ROR1

  摘要：

  化合物的化学式（I´）或（I´´）或其药学上可接受的盐。该化合物是哺乳动物激酶酶活性的抑制剂，包括ROR1酪氨酸激酶活性，并可用于治疗与该活性相关的疾病。

  公开号：

  WO2016124553A1

文献信息

• Bleaching composition
  申请人：UNILEVER N.V.

  公开号：EP0458396A1

  公开（公告）日：1991-11-27

  Bleaching (detergent) compositions are disclosed comprising a peroxide bleaching agent and a novel cationic peroxyacid bleach precursor having at least one of the following groups (A) and (B) : wherein R₁ and R₂ are each individually H, or a substituent group containing at least one carbon atom, provided that R₁ and R₂ are not both H. The novel bleach precursor of the cationic nitrile type shows no tendency to deliquesce under normal atmospheric conditions.

  揭示了包括过氧化漂白剂和一种新型阳离子过氧酸漂白剂前体的漂白（洗涤剂）组合物，该前体具有以下(A)和(B)中至少一种基团： 其中R₁和R₂分别为H，或含有至少一个碳原子的取代基团，前提是R₁和R₂不同时为H。 这种阳离子腈型新型漂白剂前体在正常大气条件下不会有溶解的倾向。
• 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。
• [EN] ANTIPROLIFERATIVE 2-(HETEROARYL)-AMINOTHIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE<br/>[FR] COMPOSES 2-(HETEROARYL)-AMINOTHIAZOLE ANTIPROLIFERATIFS, COMPOSITIONS PHARMACEUTIQUES ET LEURS PROCEDES D'UTILISATION
  申请人：PFIZER

  公开号：WO2004014904A1

  公开（公告）日：2004-02-19

  Compounds represented by the Formula (I): are described. The compounds and pharmaceutical compositions containing them may be used in inhibiting and/or modulating protein kinases, in treating or preventing diseases associated with protein kinases, and/or in treating or preventing cellular proliferative diseases.

  由式（I）表示的化合物已被描述。这些化合物及含有它们的药物组合物可用于抑制和/或调节蛋白激酶，在治疗或预防与蛋白激酶相关的疾病，以及/或在治疗或预防细胞增殖性疾病方面。
• Antiproliferative 2-(heteroaryl)-aminothiazole compounds and pharmaceutical compositions, and methods for their use
  申请人：Chong Kwan Mung Wesley

  公开号：US20050038078A1

  公开（公告）日：2005-02-17

  Compounds represented by the Formula (I): are described. The compounds and pharmaceutical compositions containing them may be used in inhibiting and/or modulating protein kinases, in treating or preventing diseases associated with protein kinases, and/or in treating or preventing cellular proliferative diseases.

  由化学式(I)代表的化合物被描述。这些化合物和含有它们的药物组合物可用于抑制和/或调节蛋白激酶，在治疗或预防与蛋白激酶相关的疾病，以及/或在治疗或预防细胞增殖性疾病方面。
• [EN] NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS<br/>[FR] DERIVES DE NAPHTYLENE CONSTITUANT DES INHIBITEURS DU CYTOCHROME P450
  申请人：OSI PHARM INC

  公开号：WO2005007631A1

  公开（公告）日：2005-01-27

  Compounds of the formula (I); and pharmaceutically acceptable salts thereof, wherein n1, n2, n3, n4, G 1,Q1, Z, R1, R2, R3, R4a, R4b, R5a, and R5b are defined herein, inhibit the cytochrome P450RAI enzyme and are useful for the treatment and/or prevention of various diseases and conditions which respond to treatment by retinoids and by naturally occurring retinoic acid.

  该式（I）的化合物及其药用盐，其中n1、n2、n3、n4、G 1、Q1、Z、R1、R2、R3、R4a、R4b、R5a和R5b在此处被定义，抑制细胞色素P450RAI酶，适用于治疗和/或预防对维甲酸类药物和天然存在的视黄酸有反应的各种疾病和病况。

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