2-甲基丙烷亚氨酸甲酯盐酸盐(1:1) | 39739-60-1

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 中文名称: 2-甲基丙烷亚氨酸甲酯盐酸盐(1:1)
• 英文名称: methyl isobutyrimidate hydrochloride
• 英文别名: methyl 2-methylpropanimidate hydrochloride；Isobutyrimidsaeure-methylester-hydrochlorid；methyl 2-methylpropionimidate hydrochloride；(1-Methoxy-2-methylpropylidene)azanium;chloride
• CAS: 39739-60-1
• 化学式: C₅H₁₁NO*ClH
• 分子量: 137.609
• InChiKey: RMXGPHAHPIIESQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  33.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Methyl 2-methylpropanimidic acid, HCl
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Methyl 2-methylpropanimidic acid, HCl
Ingredient name:
CAS number: 39739-60-1

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H11NO.ClH
Molecular weight: 137.6

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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：

  2-甲基丙烷亚氨酸甲酯盐酸盐(1:1) 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 原异丁酸三甲酯
  参考文献：
  名称：

  12-hetero substituted 6,11-ethano-6,11-dihydrobenzo (b) quinolizinium

  摘要：

  1-杂代替的6,11-乙烷-6,11-二氢苯并[b]喹啉盐，含有它们的药物组合物，以及利用它们治疗或预防神经退行性疾病或神经毒性损伤的方法。

  公开号：

  US05380729A1
• 作为产物：
  描述：

  异丁腈 以 甲醇 为溶剂， 以125 g (90.8%)的产率得到2-甲基丙烷亚氨酸甲酯盐酸盐(1:1)
  参考文献：
  名称：

  12-hetero substituted 6,11-ethano-6,11-dihydrobenzo (b) quinolizinium

  摘要：

  1-杂代替的6,11-乙烷-6,11-二氢苯并[b]喹啉盐，含有它们的药物组合物，以及利用它们治疗或预防神经退行性疾病或神经毒性损伤的方法。

  公开号：

  US05380729A1
• 作为试剂：
  描述：

  2-isopropyl-2-methoxy-1,3-dioxolane 、 乙二醇 在 2-甲基丙烷亚氨酸甲酯盐酸盐(1:1) 作用下， 生成 1,2-bis-(2-isopropyl-[1,3]dioxolan-2-yloxy)-ethane
  参考文献：
  名称：

  Ketene Acetals. XXX. Alkylation of Dimethylketene Dimethylacetal

  摘要：

  DOI：

  10.1021/ja01112a033

文献信息

• [EN] NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROARYLE-TRIAZOLE UTILISÉS COMME PESTICIDES
  申请人：BAYER AG

  公开号：WO2021013719A1

  公开（公告）日：2021-01-28

  The present invention relates to novel heteroaryl-triazole compounds of the general formula (I), in which the structural elements R1, R2, R3, R4 and R5 have the meaning given in the description, to formulations and compositions comprising such compounds and for their use in the control of animal pests including arthropods and insects in plant protection and to their use for control of ectoparasites on animals.

  本发明涉及一类新颖的杂芳基-三唑化合物，其通用公式为(I)，其中结构元素R1、R2、R3、R4和R5的含义如描述中所述，涉及包含此类化合物的制剂和组合物，以及它们在植物保护中用于控制包括节肢动物和昆虫的动物害虫的应用，以及它们用于控制动物体外寄生虫的应用。
• Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration
  作者：David J. Connolly、Patrick M. Lacey、Mary McCarthy、Cormac P. Saunders、Anne-Marie Carroll、Richard Goddard、Patrick J. Guiry

  DOI：10.1021/jo049195+

  日期：2004.10.1

  Displacement of the resolving agent by reaction with 1,2-bis(diphenylphosphino)ethane afforded enantiopure ligand in each case. Their rhodium complexes were prepared and applied in the enantioselective hydroboration of a range of vinylarenes. The quinazolinap catalysts were found to be extremely active, giving excellent conversions, good to complete regioselectivities, and the highest enantioselectivities obtained

  描述了一系列轴向手性含喹唑啉配体的制备和拆分，其中关键步骤是金属催化的萘基-磷键形成，萘-喹唑啉Suzuki偶联以及从相应的步骤制备Suzuki亲电子组分亚氨酸酯和邻氨基苯甲酸。由外消旋次膦胺和（+）-二-μ-氯代双[（R）-二甲基（1-（1-萘基）乙基）氨基-C 2衍生的非对映体palladacycles。，N]二钯（II）通过分步结晶分离。通过X射线晶体学分析确定所得非对映异构体的构型。在每种情况下，通过与1，2-双（二苯基膦基）乙烷反应置换拆分剂得到对映体纯配体。制备了它们的铑配合物，并将其用于一系列乙烯基芳烃的对映选择性硼氢化。所述quinazolinap催化剂被发现是非常活跃，赋予优异的转化率，良好的到完全区域选择性，和迄今为止获得最高的对映选择性为乙烯基芳烃类的几个成员，包括顺式-β -甲基苯乙烯（97％），顺式-芪（99 ％）和茚（99.5％）。
• Oxidation of Oxazolines and Thiazolines to Oxazoles and Thiazoles. Application of the Kharasch−Sosnovsky Reaction
  作者：A. I. Meyers、Francis X. Tavares

  DOI：10.1021/jo9613491

  日期：1996.11.15

  Kharasch-Sosnovsky reaction, the oxidation of oxazolines and thiazolines bearing a variety of 2-alkyl substituents (chiral and achiral) were smoothly oxidized to their corresponding oxazoles and thiazoles, respectively. The key feature involved in the successful implementation of this important oxidation was the use of a mixture of Cu(I) and Cu(II) salts to enhance the oxidation of the intermediate captodative

  使用Kharasch-Sosnovsky反应的改进，将带有各种2-烷基取代基（手性和非手性）的恶唑啉和噻唑啉的氧化分别平滑地氧化为相应的恶唑和噻唑。成功实施此重要氧化反应的关键特征是使用Cu（I）和Cu（II）盐的混合物来增强中间俘虏性自由基的氧化作用24。氧化失败的原因是在C-4处缺少碳烷氧基的恶唑啉/噻唑啉。
• NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7
  申请人：Leroy Vincent

  公开号：US20090253679A1

  公开（公告）日：2009-10-08

  The present invention relates to imidazolone derivatives of formula (I) to methods of preparing such derivatives, intermediates thereto, pharmaceutical compositions comprising such derivatives, and methods of inhibiting protein kinase, and methods of treatment comprising administration of such derivatives.

  本发明涉及式(I)的咪唑酮衍生物，涉及制备这种衍生物的方法、中间体、包含这种衍生物的药物组合物、抑制蛋白激酶的方法以及包括给予这种衍生物的治疗方法。
• [EN] ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE<br/>[FR] COMPLEXE ORGANOMÉTALLIQUE, ÉLÉMENT ÉMETTANT DE LA LUMIÈRE, DISPOSITIF ÉMETTANT DE LA LUMIÈRE, DISPOSITIF ÉLECTRONIQUE ET DISPOSITIF D'ÉCLAIRAGE
  申请人：SEMICONDUCTOR ENERGY LAB

  公开号：WO2012070596A1

  公开（公告）日：2012-05-31

  Provided is a novel organometallic complex that has an emission region in the wavelength band of green to blue and high reliability. Provided is an organometallic complex including a structure represented by a general formula (Gl). The organometallic complex represented by the general formula (Gl) is a novel organometallic complex that has an emission region in the wavelength band of green to blue and high reliability. Further provided is a light-emitting element including the organometallic complex, and a light-emitting device, an electronic device, and a lighting device each using the light-emitting element.

  提供了一种新颖的有机金属配合物，其在绿色到蓝色波长范围内具有发射区域并具有高可靠性。提供了一种包括由通用公式（Gl）表示的结构的有机金属配合物。由通用公式（Gl）表示的有机金属配合物是一种在绿色到蓝色波长范围内具有发射区域并具有高可靠性的新颖有机金属配合物。此外，还提供了包括该有机金属配合物的发光元件，以及使用该发光元件的发光装置、电子设备和照明设备。